data_2cru_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 2cru _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 ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.3 ptm -64.75 -47.61 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -55.37 -45.99 76.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -51.28 -57.99 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -56.64 -25.93 54.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.453 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 29.6 mt -78.77 -35.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' CD ' ' A' ' 70' ' ' GLU . 51.7 mt -80.88 -32.28 34.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.54 -22.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 20.7 pt20 -88.37 -33.82 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.13 -18.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.402 ' CD2' HD11 ' A' ' 73' ' ' LEU . 11.9 mt -115.99 114.56 24.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -66.07 156.5 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -42.89 -31.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -69.63 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.52 -35.52 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -57.08 -57.63 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -54.18 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 7.3 tp -55.32 -71.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' LEU . 42.8 t -37.28 -52.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -45.93 -42.45 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.6 tp -73.06 -46.85 49.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.63 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LEU . 72.4 mt -68.93 -64.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.08 -40.2 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -126.87 82.36 67.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.16 2.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.37 -50.68 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.38 -66.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -48.29 -42.54 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.48 -58.2 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.0 -39.62 56.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.39 -41.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CD ' HD11 ' A' ' 43' ' ' LEU . 4.9 mm-40 -53.0 -47.88 67.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.33 -38.47 91.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.12 -51.6 67.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 47' ' ' LEU . 43.5 mt -57.76 -42.58 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.1 -57.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 76' ' ' MET . 12.4 pt20 -57.05 -37.15 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 22.3 mtm -61.08 -37.95 84.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.53 -62.22 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -46.71 -55.48 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -51.42 -64.4 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 35.2 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -91.69 -40.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.76 108.29 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -72.4 -67.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -126.33 171.8 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -45.55 121.37 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.33 150.19 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.3 m -114.44 162.84 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.3 tt0 -35.4 -65.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -39.9 -58.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.28 -61.88 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.3 tp -44.23 -61.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.54 -44.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.97 -36.35 83.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.7 mm -56.57 -45.83 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 23.7 mt -46.42 -40.42 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -92.23 29.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.81 -46.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 ptm -71.26 -51.9 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -54.5 -56.87 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -54.1 -52.12 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 mt -51.47 -58.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 73' ' ' LEU . 21.9 mt -49.03 -56.89 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.81 -36.1 57.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.02 -39.33 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -92.25 12.9 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.8 mt -128.51 106.64 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.33 156.95 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -44.12 -42.27 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -57.9 -62.86 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.94 -51.73 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 17.2 mmm180 -36.06 -60.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.24 -51.49 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt-85 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 tp -41.01 -58.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -53.61 -54.43 37.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.66 -49.9 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 3.6 tp -54.0 -46.59 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -36.17 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' LEU . 33.8 mt -69.8 -53.61 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.57 -64.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.82 97.69 13.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -28.59 24.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -69.62 -42.92 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -64.72 -45.01 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -59.0 -42.1 89.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -53.59 -53.54 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.76 -51.45 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.8 t -52.49 -47.2 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.47 -37.06 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -78.01 -33.59 51.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.06 -47.79 76.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 43' ' ' LEU . 41.8 mt -57.32 -52.23 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -42.76 -63.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -42.47 -53.27 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.5 mtm -57.02 -40.26 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.71 -60.89 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -47.15 -51.04 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.31 -64.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.03 45.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -97.57 -51.69 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.21 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.6 p -49.06 -44.69 42.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -152.64 169.98 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -39.31 137.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -80.09 126.01 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.9 t -90.69 154.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.5 tt0 -34.82 -52.56 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -49.06 -55.53 11.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.15 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 92' ' ' ILE . 5.1 tp -48.7 -65.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' LEU . 97.4 mt -34.14 -52.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.03 -51.51 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.9 mt -44.66 -46.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.3 mt -52.12 -34.85 46.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 22.22 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.9 -50.48 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.5 ptm -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -57.63 -44.49 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.25 -51.76 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.9 m -56.81 -41.96 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.74 -26.92 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.8 -39.64 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.26 -32.53 74.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.18 -14.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.2 mt -115.79 123.84 49.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLN . 15.7 t70 -78.49 150.6 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ASP . 44.3 tt0 -34.51 -45.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -60.19 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.21 -58.28 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -34.85 -62.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.65 -58.06 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -48.84 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.42 -62.57 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 1.3 t -45.11 -47.94 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.95 -48.2 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.25 -26.95 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -47.79 -29.38 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -73.9 -68.8 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 m -54.68 -50.45 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -127.78 82.75 67.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -19.65 36.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.79 -45.51 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -62.25 -44.57 96.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -54.36 -43.02 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -54.0 -56.05 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.43 -55.34 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.6 t -46.15 -56.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -46.23 -45.56 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.04 -29.65 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -72.81 -46.93 50.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.02 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mt -56.11 -56.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.86 -35.02 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.0 mtm -67.6 -37.77 83.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.68 -49.91 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.75 -52.48 65.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -54.65 -54.08 46.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.84 0.85 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -89.27 -45.75 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.95 126.84 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -95.09 -46.86 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.42 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -59.0 111.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.1 137.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLU . 21.9 p -103.83 164.61 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -34.78 -64.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -63.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.34 -49.54 19.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' ILE . 6.4 tp -57.23 -66.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' LEU . 50.3 mt -36.69 -35.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.86 -45.47 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 66.9 mt -55.6 -43.63 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.4 mt -54.21 -27.59 35.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.7 22.67 9.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -123.8 -50.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.442 ' CG1' ' HE2' ' A' ' 65' ' ' LYS . 11.6 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.8 ptm -64.31 -37.59 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.38 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -59.48 -48.3 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -63.35 -63.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.8 mt -43.91 -38.99 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.7 -44.89 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.45 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -77.58 -24.79 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 m -96.9 -15.89 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.02 156.89 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -112.07 162.11 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -42.09 -35.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -62.03 -71.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.9 -48.83 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -37.83 -50.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.01 -63.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -46.56 -49.09 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.13 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -45.95 -47.41 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -51.13 -46.4 61.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.05 -9.55 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.92 -69.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.23 -37.04 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -169.28 105.0 0.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.5 Cg_endo -69.75 -38.02 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' PRO . 22.1 tt0 -37.77 -69.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -47.5 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -49.88 -48.84 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -50.2 -60.5 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.64 -54.32 7.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -53.99 -61.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -40.26 -40.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -72.04 -43.16 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -49.43 -53.34 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.08 -51.48 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.1 mt -43.98 -60.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 43.0 mt-30 -49.26 -50.06 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.4 mtm -54.78 -32.32 59.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -68.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 2.8 m-85 -64.78 -39.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.54 33.34 5.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -92.65 -21.34 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.3 mt -88.79 133.01 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.7 m -111.1 -42.76 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -123.29 168.88 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -71.79 114.43 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.89 125.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' GLU . 60.6 p -99.2 171.12 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' SER . 9.6 tt0 -36.25 -59.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -45.55 -65.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.01 -54.8 9.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -49.89 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 58.1 mt -35.43 -37.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -43.96 38.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -51.5 -42.2 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.81 -33.96 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -72.23 -3.83 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -102.02 -53.21 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 5.7 ptp -67.57 -36.44 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 38' ' ' MET . 94.4 mtt180 -68.05 -39.69 82.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -57.92 -46.83 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -65.81 -49.42 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.35 -32.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.72 -32.75 60.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.29 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -70.72 -35.68 72.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.86 -21.08 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 91' ' ' LEU . 21.7 mt -117.18 117.66 30.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 49' ' ' GLN . 13.3 t70 -70.39 167.59 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 1.9 tt0 -48.97 -43.29 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 m -55.2 -52.32 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.4 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -41.48 -46.66 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -63.11 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -49.07 -56.35 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 tp -41.9 -38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -69.94 -42.33 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -51.94 -41.37 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.14 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.16 -11.48 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -93.94 -63.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 62' ' ' LYS . 4.4 p -55.34 -38.89 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.463 ' N ' HG12 ' A' ' 61' ' ' VAL . 4.0 pttm -171.91 104.97 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.9 Cg_endo -69.75 -43.04 2.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.6 tt0 -34.66 -54.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.56 -49.95 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 67' ' ' LYS . 7.9 m -52.05 -54.66 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' THR . 24.8 mtpt -36.72 -62.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.05 -66.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' A' ' 95' ' ' LEU . 61.0 t -41.01 -60.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -39.67 -49.33 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -71.94 -35.45 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.486 ' CD2' ' CG2' ' A' ' 98' ' ' VAL . 5.3 t80 -57.86 -38.09 75.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -72.09 -47.44 51.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.6 mt -49.63 -48.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.59 -38.63 85.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.9 mtm -72.63 -31.92 65.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -39.54 -62.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -53.0 -50.7 63.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.24 37.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.37 -45.03 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.01 104.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.4 p -45.91 -65.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -150.3 172.98 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -39.43 121.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.7 t -78.88 122.47 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 53.2 p -89.39 168.8 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.0 tt0 -36.51 -61.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.11 -49.57 63.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.92 -31.97 69.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -67.48 -64.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -37.48 -37.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.5 -43.65 98.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.5 mt -54.97 -48.71 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.441 ' CD2' HG23 ' A' ' 69' ' ' VAL . 21.5 mt -54.07 -34.53 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -69.21 -18.69 63.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -95.37 -45.49 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.486 ' CG2' ' CD2' ' A' ' 72' ' ' TYR . 42.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 ptp -67.56 -35.41 78.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 38' ' ' MET . 2.2 ptm85 -73.48 -32.08 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -85.6 -27.17 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m -82.81 -43.09 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.75 -30.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 74.5 mt -81.25 -29.94 34.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -26.97 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.13 -36.12 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -81.36 -20.37 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -109.36 123.37 49.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 175.17 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -59.51 -50.76 72.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.3 m -49.79 -56.2 11.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -58.97 -51.87 68.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.7 mmm-85 -35.71 -53.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.58 86.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -59.74 -52.25 66.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.31 -49.16 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -56.63 -49.28 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.71 -30.83 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.12 -27.52 57.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.0 -6.77 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.05 -65.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.81 -38.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -170.68 104.97 0.41 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.0 Cg_endo -69.76 -46.19 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.0 pt-20 -35.27 -43.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -67.86 -50.65 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -59.3 -32.73 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -55.9 -47.61 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.32 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' TYR . 30.1 t -51.18 -64.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' VAL . 42.7 mt-10 -34.8 -39.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.81 -41.32 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' VAL . 51.2 t80 -57.8 -43.17 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . 23.7 mt -62.71 -59.99 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' LEU . 63.2 mt -36.9 -51.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.4 -47.28 76.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 mtm -61.63 -30.63 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -71.83 -57.11 4.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -43.56 -48.62 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.36 -16.78 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 69.95 27.92 72.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.61 -14.65 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.44 122.49 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 t -60.87 -58.12 9.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.08 171.53 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -40.42 117.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.18 126.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLU . 96.8 p -101.27 169.85 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.11 -62.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -42.26 -65.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.07 -57.61 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -45.2 -64.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.0 mt -40.55 -40.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -69.25 -34.22 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 91' ' ' LEU . 46.2 mt -67.47 -36.39 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.8 -11.94 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -103.82 -14.67 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -101.06 -34.05 9.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.1 ptp -86.52 -36.8 18.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.2 OUTLIER -72.92 -25.31 61.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -82.46 -26.8 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 m -87.84 -37.44 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.71 -29.19 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.33 -31.66 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.99 -35.8 64.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.28 -35.82 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -82.64 -15.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -115.37 119.73 37.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.39 164.91 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -46.38 -56.62 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.2 m -45.32 -50.26 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.08 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.9 mmm180 -37.84 -51.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.94 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -61.13 -52.91 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.12 -53.8 19.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -51.36 -36.33 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.19 -26.41 60.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -3.18 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.53 -68.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.4 p -51.4 -34.44 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -169.77 104.96 0.45 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -41.27 4.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.62 -61.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -52.81 -38.09 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -70.58 -31.54 68.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.41 -49.03 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 95' ' ' LEU . 83.1 t -42.77 -56.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -46.23 -52.24 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -71.17 -19.87 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -77.59 -35.53 52.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 mt -73.4 -47.88 38.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -47.5 -55.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.18 -49.08 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.1 mtm -62.09 -36.94 83.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.51 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -53.45 -54.72 32.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -55.13 -54.19 46.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.33 30.71 1.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.8 -51.79 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.62 110.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -70.67 -68.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -117.38 -177.37 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -68.48 120.83 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.32 117.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' GLU . 64.5 p -90.95 172.27 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.04 -62.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.56 -50.7 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.63 -51.35 59.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 tp -52.51 -55.39 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.6 mt -47.15 -38.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -65.57 -40.15 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.07 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 69' ' ' VAL . 15.5 mt -63.92 -16.85 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -89.62 -28.08 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -34.84 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 ptm -74.89 -52.58 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.5 -32.08 73.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -61.57 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.3 m -74.52 -45.38 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.3 -21.75 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 74' ' ' ILE . 13.9 mt -80.46 -38.79 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.84 -41.17 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -63.32 -35.98 82.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.9 m -87.21 -17.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.99 170.01 8.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 11.9 t0 -128.24 158.66 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp60 -38.05 -43.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -56.3 -71.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -47.47 -53.23 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ALA . 48.8 mmm-85 -35.51 -43.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 -60.7 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -53.6 -55.97 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.58 -54.2 24.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 m -57.26 -39.67 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.43 -32.44 70.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.7 -26.51 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -5.8 12.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -98.94 -65.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 62' ' ' LYS . 14.9 p -56.58 -29.19 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 61' ' ' VAL . 10.5 pttt -173.48 105.05 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.2 Cg_endo -69.81 -33.67 15.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -48.48 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -46.25 -40.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -66.51 -36.27 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -54.01 -48.84 70.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.92 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -43.98 -57.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 39.5 mt-10 -47.25 -56.3 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -58.71 -34.0 70.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.473 ' CE2' ' SD ' ' A' ' 76' ' ' MET . 81.6 t80 -64.6 -31.23 72.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ILE . 26.6 mt -76.27 -61.04 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.8 mp -36.15 -51.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -57.37 -47.65 81.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.473 ' SD ' ' CE2' ' A' ' 72' ' ' TYR . 19.7 mtp -57.23 -31.84 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.89 -52.73 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -49.66 -55.47 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -51.32 -48.1 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.51 39.06 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -94.57 -39.98 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.07 144.99 55.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.7 m -114.29 -60.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -109.64 171.3 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -68.95 115.26 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.81 124.73 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -97.28 179.06 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -37.06 -53.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' GLY . 41.1 mt-30 -56.22 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLN . . . -36.7 -42.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -61.22 -74.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 91' ' ' LEU . 21.3 mt -32.25 -41.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.0 -48.39 78.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.7 mt -64.79 -33.75 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -57.15 -30.43 64.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -85.62 -0.07 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -101.68 -60.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.851 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.7 ptp -64.78 -40.54 95.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 38' ' ' MET . 92.9 mtt180 -65.41 -41.5 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -64.84 -32.92 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -81.54 -40.18 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.45 -36.43 73.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.77 -27.68 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.99 -30.67 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.39 -39.18 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.67 -11.81 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.8 mt -125.32 112.21 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.03 175.17 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 49' ' ' GLN . 8.5 tm0? -51.11 -45.76 61.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -51.6 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.0 -49.82 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.6 mmm180 -36.21 -46.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -54.08 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -53.68 -33.54 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.78 -63.2 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.8 t -50.74 -28.19 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.51 -50.23 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.92 -39.34 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.99 -25.11 4.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.83 -70.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -48.53 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -147.98 104.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.87 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -51.44 2.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -50.85 -63.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' THR . 49.3 mttp -34.12 -57.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.41 -54.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 95' ' ' LEU . 95.2 t -48.44 -54.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -42.37 -59.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -53.75 -33.34 55.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.55 -54.56 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.47 -12.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -86.4 -48.27 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -52.6 -44.52 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.415 ' SD ' ' CD2' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -60.29 -43.9 95.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.72 -61.39 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -48.39 -45.64 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.37 43.02 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -101.59 -35.32 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.415 ' CD2' ' SD ' ' A' ' 76' ' ' MET . 13.1 mt -59.09 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.7 m 52.74 26.48 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.96 172.47 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -89.25 121.48 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 142.9 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 86.8 p -113.74 163.35 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.8 tt0 -34.65 -57.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -48.71 -55.13 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -56.65 20.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -47.55 -62.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.4 -47.39 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -37.26 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.36 -40.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 69' ' ' VAL . 77.9 mt -55.52 -20.44 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -103.6 21.45 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -125.58 -51.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 ptm -47.46 -45.52 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 22.7 ptt85 -63.14 -52.21 63.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 62.4 m-20 -38.85 -48.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -70.93 -57.11 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.7 mt -49.27 -25.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 74' ' ' ILE . 42.7 mt -77.09 -45.33 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -11.6 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -96.09 -28.31 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.9 m -97.82 -13.74 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 36.4 mt -116.35 149.85 38.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.7 t70 -97.84 146.2 25.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ASP . 10.9 tm0? -36.32 -33.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' ASP . 14.9 m -67.39 -61.21 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.77 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.6 mmm180 -42.93 -59.38 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.84 -60.61 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -44.57 -45.41 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' SER . 6.9 tp -67.23 -70.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 55' ' ' LEU . 1.1 t -36.48 -42.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -46.26 -52.79 11.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.08 -32.86 70.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.83 26.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.46 -72.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' H ' ' A' ' 62' ' ' LYS . 3.0 m -44.81 -60.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' H ' ' CG2' ' A' ' 61' ' ' VAL . 7.0 pttt -142.46 110.48 5.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -43.62 2.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.9 mm-40 -38.92 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -34.42 -69.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -44.47 -49.6 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' THR . 6.3 ttmt -37.55 -43.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.28 -59.23 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' HD23 ' A' ' 95' ' ' LEU . 20.3 t -47.39 -54.55 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -46.51 -55.7 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -59.39 -41.56 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -52.91 -30.95 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.96 -57.9 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.6 mp -38.56 -56.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -49.85 -49.16 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.0 mtm -57.29 -33.01 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.47 -58.42 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -42.08 -59.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -47.88 -50.99 24.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.44 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.07 -46.35 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -51.34 127.35 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -95.1 -54.25 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -124.36 173.6 8.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -67.58 120.87 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HB ' ' CD2' ' A' ' 47' ' ' LEU . 79.3 t -51.05 136.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 59.6 p -102.36 160.33 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 15.2 tt0 -35.2 -59.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.75 -57.69 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.66 -54.84 23.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -50.91 -62.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -38.28 -35.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -76.63 -39.29 52.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' LEU . 58.7 mt -69.74 -21.91 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.406 HD23 ' CG2' ' A' ' 69' ' ' VAL . 11.0 mt -70.89 -32.16 69.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.75 21.67 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -118.6 -44.04 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.44 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 4.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.5 ptm -88.35 -51.93 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -63.92 -47.1 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -46.9 -38.06 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -80.34 -44.07 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.0 mt -67.02 -19.44 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -87.45 -25.85 23.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.22 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -98.09 -33.66 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -86.97 -28.79 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' HD21 ' A' ' 55' ' ' LEU . 83.1 mt -102.76 147.8 26.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 6.7 t70 -99.45 157.9 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 8.2 tp60 -37.18 -35.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.4 m -63.17 -71.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.89 -30.19 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -58.49 -47.28 84.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.92 -59.55 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -53.74 -49.39 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 47' ' ' LEU . 18.8 tp -50.36 -39.78 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -70.16 -45.23 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -55.18 -42.33 73.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 14.9 tp -53.8 -44.73 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.45 -22.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -81.65 -61.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -56.21 -40.04 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -166.36 106.55 0.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -20.88 34.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.25 -66.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -45.53 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.39 -61.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -43.33 -66.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.9 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.443 HG21 ' CD2' ' A' ' 95' ' ' LEU . 38.5 t -53.36 -59.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -57.16 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -58.68 -40.45 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 14.5 t80 -58.33 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.12 -56.56 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.2 mt -40.0 -57.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -50.44 -41.15 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.8 mtm -68.81 -32.48 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.62 -59.35 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -43.07 -58.12 2.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -55.18 -49.59 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.69 32.46 2.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.541 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -82.01 -43.91 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.8 mt -53.82 130.4 36.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 t -94.82 -57.47 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -123.51 173.32 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -66.48 135.37 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.5 134.73 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 88' ' ' GLU . 17.6 t -106.43 166.01 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 87' ' ' SER . 11.5 tt0 -37.01 -63.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -45.61 -57.54 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.09 61.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.3 tp -51.7 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 16.6 mt -35.73 -50.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HA ' ' CE ' ' A' ' 96' ' ' LYS . 18.2 mm-40 -54.82 -40.69 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' LEU . 55.1 mt -67.71 -30.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.443 ' CD2' HG21 ' A' ' 69' ' ' VAL . 81.6 mt -68.28 -21.83 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 93' ' ' GLU . 9.7 mtmt -106.05 -7.39 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -101.9 -35.19 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 14.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.416 ' CG ' ' N ' ' A' ' 39' ' ' ARG . 19.7 ptm -67.4 -49.73 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 10.2 ptm180 -54.87 -42.79 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 15.8 m-20 -53.01 -58.49 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ALA . 61.9 m -61.81 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mt -40.14 -35.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.85 -40.97 88.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' SER . . . -74.12 -24.57 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.57 -30.09 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -90.55 -22.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.98 155.15 19.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.3 t70 -107.49 152.11 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ASP . 33.7 tt0 -34.75 -43.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -59.77 -61.0 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -43.13 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -43.61 -45.62 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.15 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -47.61 -47.68 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.26 -64.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.8 t -41.3 -55.53 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -46.26 -52.7 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.8 tp -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.76 -39.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.88 -50.24 57.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LEU . 48.3 t -68.06 -60.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.17 90.4 45.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -19.63 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.32 -50.46 10.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -63.75 -40.43 96.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -48.77 -45.63 40.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.09 -58.11 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' TYR . 94.1 t -45.62 -64.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' VAL . 28.2 mt-10 -36.46 -47.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -73.85 -35.87 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' VAL . 9.8 t80 -62.08 -43.2 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.34 -53.36 53.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.32 -55.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.58 -43.92 62.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.97 -31.37 70.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.65 78.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.12 -49.85 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -55.15 -35.2 64.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.67 39.4 4.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.04 -42.46 8.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -58.63 120.33 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 m -78.86 -45.17 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.84 171.31 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.54 116.59 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.51 141.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.5 t -105.09 159.83 15.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' SER . 26.1 tt0 -35.44 -55.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.91 -61.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.56 -53.96 29.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 tp -43.26 -58.98 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.4 mt -41.64 -55.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.55 -50.36 74.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 97' ' ' LYS . 35.2 mt -46.99 -57.93 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 69' ' ' VAL . 6.7 mt -37.79 -44.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -74.83 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 36.4 mttm -65.5 -52.95 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.48 HG12 ' CD2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.4 ptm -50.44 -43.4 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.491 ' CG ' ' N ' ' A' ' 40' ' ' ASN . 29.0 ptt180 -63.91 -49.94 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.491 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 3.6 t-20 -41.39 -52.28 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -62.55 -44.7 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.8 mt -59.62 -27.06 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -83.13 -33.23 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.15 60.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -78.98 -34.76 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -83.25 -14.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.5 mt -115.69 130.53 56.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.67 163.86 25.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.88 -46.54 42.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -57.1 -56.82 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.49 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -49.95 -50.04 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.54 -52.99 33.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.42 -56.97 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.1 tp -44.79 -36.4 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -72.91 -37.09 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.443 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 18.5 tp -62.6 -31.83 72.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.08 -8.9 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.7 -62.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.09 -46.57 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -160.96 105.02 1.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.8 13.78 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.57 -33.84 23.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -82.78 -41.18 19.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -58.18 -36.41 73.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -59.94 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.21 -51.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.23 -48.26 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.01 -48.79 67.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -66.62 -40.0 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.07 -56.15 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ILE . 34.9 mt -50.41 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' ALA . 18.3 mt -35.49 -65.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -40.82 -51.5 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.5 mtm -60.07 -31.31 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -71.46 -55.62 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -47.9 -48.8 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -63.24 -48.92 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.63 40.17 1.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -92.05 -41.2 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.07 91.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 m -59.86 -54.26 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -125.97 165.43 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -53.76 158.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.5 t -107.27 125.77 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' GLU . 2.4 m -88.55 166.64 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.0 tm-20 -34.37 -54.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.25 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.99 -45.9 6.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.1 tp -54.22 -70.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.7 mt -39.45 -36.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.42 -38.91 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' LEU . 96.0 mt -62.73 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 58' ' ' LEU . 5.4 mp -59.16 -19.67 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.75 -8.28 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -103.66 -46.68 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.843 0.354 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 4.3 ptp -66.18 -35.65 81.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 9.3 ptp180 -70.97 -35.34 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 34.5 m-20 -78.72 -15.81 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -92.08 -48.3 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -64.01 -19.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.06 -28.46 24.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.17 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.34 -36.68 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -85.27 -13.94 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.5 mt -117.35 123.18 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 33.2 t70 -74.43 149.91 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' ASP . 7.4 tt0 -34.56 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' ASP . 63.4 p -65.29 -62.98 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.03 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -41.76 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -64.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -42.13 -47.02 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 tp -57.28 -64.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -44.41 -45.63 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -55.14 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.39 -37.59 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.05 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -79.98 -54.4 5.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 62' ' ' LYS . 5.7 p -61.85 -44.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 61' ' ' VAL . 3.4 pttm -164.54 115.59 0.93 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -19.17 36.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -50.39 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -39.41 -59.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -41.55 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' THR . 36.8 mtmt -34.97 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.89 -49.71 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' THR . 89.5 t -62.95 -51.95 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -41.52 -43.32 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.58 -43.37 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.67 -47.7 81.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.83 -47.71 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.9 mt -55.08 -52.16 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.49 -34.88 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.9 mtm -62.69 -42.5 99.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.27 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -43.54 -56.49 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -52.12 -55.41 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.77 25.58 2.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.07 -45.99 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.91 108.35 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -95.01 -52.26 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -104.84 164.24 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -67.24 127.87 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.38 128.01 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' GLU . 58.6 m -94.57 162.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.8 tt0 -34.52 -52.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -52.86 -59.05 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.4 -57.43 9.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -46.19 -65.88 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.459 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 67.4 mt -36.08 -46.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' LEU . 74.7 mt -58.95 -42.38 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.13 -22.81 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -106.86 27.07 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -127.75 -46.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.0 ptm -52.27 -47.52 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.38 -43.11 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -47.74 -48.93 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -69.46 -53.9 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 30.0 mt -44.48 -36.87 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -74.05 -35.81 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.33 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 13.1 pt20 -69.37 -34.39 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' CG1' HD11 ' A' ' 82' ' ' LEU . 35.2 m -84.71 -17.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -116.41 123.62 47.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLN . 2.1 p-10 -79.63 156.68 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ASP . 27.9 tt0 -35.11 -60.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 m -41.74 -67.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.74 -56.04 11.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.1 -60.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.95 75.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.3 tmt_? -64.8 -34.52 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.72 -58.64 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -52.96 -48.49 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -43.83 -46.21 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ALA . 12.3 tp -54.81 -48.9 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.88 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' LEU . 13.0 mt -66.86 -56.46 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.03 -64.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -141.65 114.61 6.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.5 Cg_endo -69.74 -43.66 2.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' PRO . 6.2 tt0 -34.55 -54.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -59.38 -64.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -35.73 -43.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.85 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' TYR . 60.4 t -53.92 -62.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.78 -38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -83.54 -31.09 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' VAL . 11.6 t80 -67.5 -38.84 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' ILE . 38.4 mt -68.18 -59.59 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' LEU . 58.5 mt -36.87 -61.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -42.16 -54.59 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.447 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 45.0 mtm -53.98 -35.35 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.73 -57.21 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mtp-105 -43.03 -58.37 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.03 -28.69 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.01 30.93 24.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 76' ' ' MET . 4.3 pt20 -83.71 -16.17 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 HD11 ' CG1' ' A' ' 46' ' ' VAL . 30.0 mt -66.64 138.66 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -88.75 -55.88 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -157.67 170.9 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -40.39 122.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.0 132.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.4 m -98.33 162.09 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' SER . 13.7 tt0 -34.6 -60.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -46.77 -54.54 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.63 -50.2 61.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -53.37 -64.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 91' ' ' LEU . 80.4 mt -36.75 -47.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.55 -40.48 83.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 97' ' ' LYS . 61.3 mt -57.31 -53.07 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 69' ' ' VAL . 61.9 mt -38.69 -44.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.58 -36.36 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.5 mtpm? -68.91 -60.23 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 94' ' ' ILE . 1.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptm -46.37 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 28.2 ptt180 -67.07 -43.46 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 3.9 t-20 -50.39 -40.05 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -73.48 -35.72 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.5 mt -68.05 -39.21 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.85 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.89 -18.71 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.15 122.92 48.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLN . 9.0 t0 -78.63 153.78 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . 35.1 tt0 -35.29 -37.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -59.71 -72.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.06 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 4.7 mmm180 -46.62 -52.7 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.79 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -50.17 -40.6 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.49 -66.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -44.74 -30.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -70.24 -43.55 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 95' ' ' LEU . 2.3 tt -55.18 -29.91 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.0 -18.88 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.81 -73.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -52.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -152.62 115.14 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 11.0 pt-20 -45.43 -53.45 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.61 -44.64 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -59.54 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ALA . 40.2 mttp -45.19 -65.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -34.44 -59.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.7 t -48.76 -49.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -52.36 -52.06 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -60.32 -32.78 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -63.36 -58.24 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.62 -35.27 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.7 mt -62.34 -65.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 76' ' ' MET . 3.6 pt20 -46.01 -34.45 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 24.8 mtm -74.78 -43.66 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' ARG . . . -56.49 -62.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ALA . 32.0 mtp85 -37.95 -60.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -51.04 -39.32 55.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.02 52.17 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -103.01 -21.85 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.69 -73.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 m 61.19 30.95 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -169.65 -179.79 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -99.9 104.84 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.18 139.36 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -94.22 150.79 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -45.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -46.18 75.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.77 -50.84 60.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 54' ' ' ARG . 6.0 tp -51.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' LEU . 32.3 mt -34.75 -49.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -66.4 -51.65 54.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.71 -41.34 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 58' ' ' LEU . 59.7 mt -49.74 -44.56 48.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.37 23.36 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -118.36 -45.51 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.462 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 10.7 ptm -79.36 -47.02 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -58.41 -33.67 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -84.19 -18.68 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -80.22 -55.82 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 38' ' ' MET . 4.9 mp -62.96 -27.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.3 mt -82.55 -31.3 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.43 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -83.82 -33.7 24.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.454 ' CG1' HD22 ' A' ' 82' ' ' LEU . 35.3 m -85.98 -15.82 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 98.1 mt -115.15 117.51 30.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.28 164.06 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -40.87 -34.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -64.47 -70.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.37 -52.88 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.2 mmp_? -36.84 -50.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.35 -54.53 31.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -48.66 -43.32 36.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -64.35 -61.59 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -40.36 -45.13 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -55.46 -46.61 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.6 -31.97 64.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.68 -22.5 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.47 -74.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 62' ' ' LYS . 7.6 p -44.0 -48.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.4 pttt -160.86 105.01 1.28 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' THR . 54.3 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.47 -53.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.39 -39.32 90.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' PRO . 1.7 m -61.01 -44.18 97.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -55.15 -52.58 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.54 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.84 -58.12 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -47.01 -39.01 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.55 -27.37 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -72.62 -42.79 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.82 -41.19 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.8 mt -58.81 -48.81 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 76' ' ' MET . 7.6 pt20 -63.96 -35.12 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.426 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 33.8 mtm -69.99 -40.03 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 42' ' ' ILE . . . -63.94 -59.19 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -47.62 -46.61 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.09 -47.58 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 42.16 1.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -96.59 -27.74 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD22 ' CG1' ' A' ' 46' ' ' VAL . 5.3 mp -73.39 150.02 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -117.66 -49.88 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -132.02 178.28 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -66.6 127.33 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.14 128.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLU . 89.8 p -99.36 164.33 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.6 tt0 -34.66 -61.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.05 -50.65 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.98 -51.86 55.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.9 tp -46.41 -65.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 83.0 mt -38.4 -45.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -37.6 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.8 mt -65.36 -37.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.7 -21.46 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.63 -11.25 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -94.04 -34.94 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.8 ptm -57.14 -52.12 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 40' ' ' ASN . 17.8 ptt180 -55.56 -43.25 75.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 31.7 m-20 -49.91 -54.86 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 m -61.25 -30.94 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mt -72.51 -37.17 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.03 -27.86 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -82.89 -38.31 23.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 m -80.36 -16.66 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 91' ' ' LEU . 21.5 mt -120.6 124.34 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.62 166.01 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -49.07 -40.91 33.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -59.85 -66.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.7 -51.76 36.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -37.16 -55.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.07 -51.84 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -50.46 -47.49 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' NH2' ' A' ' 52' ' ' ARG . 18.5 tp -60.05 -58.5 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 t -51.09 -37.17 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -58.06 -35.66 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.2 tp -74.54 -24.49 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.18 59.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.46 -69.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 2.5 m -45.42 -57.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.0 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -33.76 15.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -43.12 -72.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -42.96 -45.18 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.31 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -54.65 -63.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.5 -61.45 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.4 t -41.18 -53.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -47.19 -52.36 15.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -61.77 -22.03 65.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 10.7 t80 -80.73 -53.67 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.24 -13.6 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.5 mt -85.67 -55.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 6.9 pt20 -46.92 -42.76 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -40.51 96.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.65 76.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -56.13 -47.35 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 12.3 m-85 -57.8 -38.68 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 29.57 8.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -88.83 -30.91 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.19 115.22 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -76.97 -50.44 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.96 172.29 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -46.81 128.19 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 124.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -81.9 158.5 23.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -39.29 -55.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -51.03 -57.4 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.35 -48.56 40.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 47' ' ' LEU . 6.1 tp -55.38 -56.72 16.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.0 mt -43.8 -42.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -62.94 -55.28 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.9 -47.74 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -43.73 -37.21 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 37.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -133.15 -38.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.8 ptm -54.92 -46.39 74.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASN . 24.9 mtp180 -63.41 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ARG . 91.9 m-20 -34.43 -60.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -49.57 -62.03 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.7 mt -45.22 -38.78 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.32 -25.29 54.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -82.56 -32.13 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -86.41 -30.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.6 mt -93.49 160.32 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -117.22 162.81 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -40.82 -37.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 m -62.51 -63.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.93 -50.7 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.36 -56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.31 -64.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -45.81 -55.57 6.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 tp -49.87 -52.03 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.2 m -52.64 -59.91 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -54.04 -40.31 66.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.35 -24.64 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.67 -26.02 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.22 -55.92 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 62' ' ' LYS . 3.3 p -65.01 -54.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.464 ' CG ' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -135.03 87.64 28.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -50.25 -26.86 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -80.05 -53.75 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -58.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 33.6 mttp -42.72 -66.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 98' ' ' VAL . . . -36.41 -51.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 ' N ' HG23 ' A' ' 98' ' ' VAL . 96.3 t -54.57 -50.78 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.6 -52.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -57.61 -42.12 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -55.37 -39.67 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.74 -54.44 13.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.5 mt -42.02 -57.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -46.9 -52.1 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.1 mtm -56.08 -39.01 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -46.17 -47.31 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -55.48 -40.44 71.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.1 50.38 2.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -110.05 -40.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.38 92.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -62.42 -48.56 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.98 164.32 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -56.69 119.29 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.21 129.2 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.3 t -97.58 164.38 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.4 tt0 -34.39 -56.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.56 -58.26 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.46 -50.32 48.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -51.28 -61.58 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.413 HG22 ' NZ ' ' A' ' 96' ' ' LYS . 38.6 mt -39.19 -41.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.85 -58.33 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -48.0 -38.98 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.7 mt -51.16 -33.67 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.466 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 2.9 mppt? -79.13 -19.38 51.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.466 ' HE3' ' CB ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 -52.65 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.459 ' CG2' ' HB1' ' A' ' 68' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' HD11 ' A' ' 42' ' ' ILE . 1.5 mtm -68.48 -51.48 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -55.03 -39.35 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -59.29 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -65.3 -56.01 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.474 HD11 ' CB ' ' A' ' 38' ' ' MET . 19.6 mt -44.28 -28.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.4 mt -83.16 -36.14 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -30.56 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -76.43 -36.52 57.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 82' ' ' LEU . 27.5 m -83.32 -15.78 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.2 mt -113.43 113.06 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 t0 -67.75 150.88 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ASP . 22.4 tt0 -37.0 -37.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -63.97 -68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.51 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -41.35 -57.73 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -46.54 -69.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 8.9 tpt180 -36.61 -64.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ARG . 15.8 tp -37.61 -40.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -69.05 -43.65 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -56.04 -42.42 76.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 95' ' ' LEU . 12.4 tp -62.62 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -94.26 -60.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.9 p -61.75 -40.34 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -166.12 105.0 0.7 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.8 Cg_endo -69.79 -37.38 9.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' PRO . 28.9 tt0 -37.61 -65.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -50.0 -53.41 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -43.73 -54.53 5.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -49.47 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.47 -57.69 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.35 -45.85 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.2 -52.23 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -64.81 -25.97 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -66.58 -39.67 88.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.2 mt -71.77 -51.03 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.1 mt -40.76 -60.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -48.6 -55.35 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.4 mtm -53.77 -39.02 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.4 -51.35 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -47.69 -53.6 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -63.26 -28.13 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.98 37.5 7.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -84.46 -37.69 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.45 ' CD2' ' HB ' ' A' ' 46' ' ' VAL . 4.9 mp -53.92 116.11 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 m -67.57 -49.11 64.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.31 163.62 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -38.01 137.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 87' ' ' SER . 96.9 t -85.27 135.76 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.435 ' N ' HG12 ' A' ' 86' ' ' VAL . 90.7 p -102.41 160.35 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 87' ' ' SER . 31.2 tt0 -36.55 -45.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -56.29 -68.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.04 -57.22 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.4 tp -40.09 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -39.96 -44.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.44 -33.59 75.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 91' ' ' LEU . 53.4 mt -62.11 -50.4 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 58' ' ' LEU . 5.4 mp -49.71 -35.8 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 20.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -129.15 -42.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.866 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -46.8 111.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -96.48 98.4 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.6 -99.2 1.71 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m -82.75 150.97 26.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -103.46 -59.98 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.19 108.39 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.31 151.7 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 10' ' ' ARG . 18.6 mmt180 -102.48 40.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' ARG . 10.7 mtt85 -36.74 136.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -112.69 75.47 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -164.74 130.13 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.94 148.4 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.35 147.42 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -48.44 155.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 pp -71.32 169.11 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -115.44 97.03 5.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.31 103.37 4.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -88.44 127.75 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -54.48 146.63 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.98 -140.59 48.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.416 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 5.6 t70 -174.99 139.98 0.64 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.416 ' HD2' ' CG ' ' A' ' 22' ' ' ASP . 53.3 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.47 -129.4 9.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.73 89.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.32 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.73 -56.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.56 -46.22 33.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.9 tp-100 -39.53 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' GLN . 30.8 mm-40 -36.49 -40.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.15 -53.56 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.56 -51.8 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -57.91 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -68.77 -47.76 65.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -61.67 -39.17 90.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.65 -19.08 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -93.18 -22.43 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.95 -43.74 19.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.3 ptm -64.75 -47.61 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 ' CD ' ' HA ' ' A' ' 36' ' ' ALA . 13.5 ptm180 -55.37 -45.99 76.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -51.28 -57.99 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -56.64 -25.93 54.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.453 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 29.6 mt -78.77 -35.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' CD ' ' A' ' 70' ' ' GLU . 51.7 mt -80.88 -32.28 34.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.54 -22.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 20.7 pt20 -88.37 -33.82 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.6 m -88.13 -18.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.402 ' CD2' HD11 ' A' ' 73' ' ' LEU . 11.9 mt -115.99 114.56 24.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -66.07 156.5 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -42.89 -31.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -69.63 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.52 -35.52 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -57.08 -57.63 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -54.18 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 58' ' ' LEU . 7.3 tp -55.32 -71.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' LEU . 42.8 t -37.28 -52.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -45.93 -42.45 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 60' ' ' LEU . 5.6 tp -73.06 -46.85 49.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.63 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LEU . 72.4 mt -68.93 -64.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.08 -40.2 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -126.87 82.36 67.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.16 2.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.37 -50.68 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -55.38 -66.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -48.29 -42.54 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.48 -58.2 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.0 -39.62 56.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.39 -41.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CD ' HD11 ' A' ' 43' ' ' LEU . 4.9 mm-40 -53.0 -47.88 67.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.33 -38.47 91.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.12 -51.6 67.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 47' ' ' LEU . 43.5 mt -57.76 -42.58 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.1 -57.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 76' ' ' MET . 12.4 pt20 -57.05 -37.15 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.401 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 22.3 mtm -61.08 -37.95 84.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.53 -62.22 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -46.71 -55.48 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -51.42 -64.4 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 35.2 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -91.69 -40.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.76 108.29 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -72.4 -67.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -126.33 171.8 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -45.55 121.37 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.33 150.19 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.3 m -114.44 162.84 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.3 tt0 -35.4 -65.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -39.9 -58.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.28 -61.88 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.3 tp -44.23 -61.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.54 -44.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.97 -36.35 83.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.7 mm -56.57 -45.83 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.445 ' O ' ' NZ ' ' A' ' 65' ' ' LYS . 23.7 mt -46.42 -40.42 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -92.23 29.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.81 -46.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 99' ' ' SER . 4.7 p -64.14 -33.11 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.429 ' N ' HG12 ' A' ' 98' ' ' VAL . 2.9 t -66.84 -50.89 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -54.51 -41.19 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -88.51 118.74 28.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -43.37 152.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -170.3 146.61 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -153.45 176.15 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 p -61.25 87.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.6 p -97.03 122.11 39.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.3 t -112.41 149.28 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -111.79 130.82 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -109.58 112.33 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -167.77 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -101.02 119.26 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -62.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 p -138.65 131.79 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.04 146.34 18.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 173.64 10.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.371 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.2 p -158.56 152.92 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 57.8 p -62.21 124.37 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -85.71 111.84 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.818 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -73.81 -48.72 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.51 116.55 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -106.97 98.83 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -83.78 122.63 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.44 163.55 40.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -143.3 114.72 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -119.88 171.7 8.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -139.86 168.27 20.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -139.8 123.55 17.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.9 mtm-85 -151.81 110.55 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.42 177.18 10.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.78 166.29 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.78 -176.75 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -138.85 145.52 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -115.31 176.11 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.82 172.37 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -129.95 117.43 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -158.92 160.41 36.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.81 58.6 1.07 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 156.65 36.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.591 0.71 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.285 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.23 -42.82 17.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.3 m-20 -41.22 -36.14 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.41 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -78.13 -52.37 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -60.72 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 13.1 mt-30 -51.44 -39.45 57.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.62 -55.79 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 33' ' ' HIS . . . -53.36 -60.65 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -39.04 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.4 t-80 -64.53 -52.82 55.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -56.16 -38.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.26 -25.48 33.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.84 -36.87 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.06 -40.89 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 ptm -71.26 -51.9 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -54.5 -56.87 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -54.1 -52.12 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 mt -51.47 -58.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' ' 73' ' ' LEU . 21.9 mt -49.03 -56.89 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.81 -36.1 57.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.02 -39.33 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.6 m -92.25 12.9 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.8 mt -128.51 106.64 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.33 156.95 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -44.12 -42.27 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -57.9 -62.86 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.94 -51.73 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 17.2 mmm180 -36.06 -60.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.24 -51.49 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt-85 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.6 tp -41.01 -58.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -53.61 -54.43 37.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.66 -49.9 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' LEU . 3.6 tp -54.0 -46.59 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -36.17 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' LEU . 33.8 mt -69.8 -53.61 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.57 -64.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.82 97.69 13.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -28.59 24.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -69.62 -42.92 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -64.72 -45.01 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.3 m -59.0 -42.1 89.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -53.59 -53.54 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.76 -51.45 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.8 t -52.49 -47.2 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -49.47 -37.06 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -78.01 -33.59 51.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.06 -47.79 76.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.441 HD13 ' CD2' ' A' ' 43' ' ' LEU . 41.8 mt -57.32 -52.23 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.5 mt -42.76 -63.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -42.47 -53.27 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.5 mtm -57.02 -40.26 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.71 -60.89 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -47.15 -51.04 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.31 -64.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.03 45.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -97.57 -51.69 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.6 mt -53.21 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.6 p -49.06 -44.69 42.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -152.64 169.98 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -39.31 137.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -80.09 126.01 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.9 t -90.69 154.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.5 tt0 -34.82 -52.56 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -49.06 -55.53 11.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.15 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 92' ' ' ILE . 5.1 tp -48.7 -65.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' LEU . 97.4 mt -34.14 -52.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.03 -51.51 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.9 mt -44.66 -46.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.3 mt -52.12 -34.85 46.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 22.22 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.9 -50.48 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 99' ' ' SER . 7.7 p -61.3 -33.22 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 98' ' ' VAL . 13.8 t -43.55 -46.34 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 8.3 mm-40 -45.14 -53.07 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 52.64 38.11 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -163.46 164.83 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -142.03 141.22 32.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.29 -45.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.9 p 42.36 43.22 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 107' ' ' THR . 90.4 m -133.24 144.06 49.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.415 ' N ' HG21 ' A' ' 106' ' ' THR . 39.5 m -137.26 118.46 14.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.19 46.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -53.45 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -169.58 115.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -158.52 116.66 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -98.1 139.02 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 t -145.88 156.91 43.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.88 65.15 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 103.87 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.4 p -156.34 132.49 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.9 t -66.35 138.49 57.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -144.73 177.78 8.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -153.91 170.36 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.01 -141.51 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -150.02 156.37 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -139.15 176.06 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.2 111.51 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.91 112.28 11.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -130.79 121.99 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.27 128.87 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -161.11 125.19 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -166.04 136.15 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -108.41 127.97 54.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.24 146.11 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -169.53 143.24 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 pp -131.06 161.96 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.71 120.41 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.35 -51.79 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -158.64 123.21 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -92.67 113.62 25.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.22 107.9 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.53 155.16 71.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.4 Cg_endo -69.74 2.29 3.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -34.46 -48.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.77 -48.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.25 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -63.01 -43.59 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -45.75 -34.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -71.22 -31.6 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.0 tp10 -82.4 -51.88 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -41.47 -26.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 t-80 -74.4 -44.77 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 29.1 mmm-85 -60.21 -51.3 70.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -40.22 -31.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.35 -44.86 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.61 -45.3 89.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.5 ptm -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.1 mtt180 -57.63 -44.49 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.25 -51.76 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.9 m -56.81 -41.96 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.74 -26.92 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.8 -39.64 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -66.26 -32.53 74.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -90.18 -14.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.2 mt -115.79 123.84 49.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLN . 15.7 t70 -78.49 150.6 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ASP . 44.3 tt0 -34.51 -45.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -60.19 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.21 -58.28 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -34.85 -62.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.65 -58.06 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -48.84 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.42 -62.57 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 1.3 t -45.11 -47.94 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.95 -48.2 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.25 -26.95 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 56' ' ' SER . . . -47.79 -29.38 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -73.9 -68.8 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 m -54.68 -50.45 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -127.78 82.75 67.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -19.65 36.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.79 -45.51 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.442 ' HE2' ' CG1' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -62.25 -44.57 96.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -54.36 -43.02 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -54.0 -56.05 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.43 -55.34 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.6 t -46.15 -56.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -46.23 -45.56 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.04 -29.65 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -72.81 -46.93 50.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -62.02 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.0 mt -56.11 -56.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -55.86 -35.02 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.0 mtm -67.6 -37.77 83.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.68 -49.91 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.75 -52.48 65.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -54.65 -54.08 46.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.84 0.85 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -89.27 -45.75 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.95 126.84 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -95.09 -46.86 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.42 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -59.0 111.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.1 137.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLU . 21.9 p -103.83 164.61 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -34.78 -64.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -63.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.34 -49.54 19.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 94' ' ' ILE . 6.4 tp -57.23 -66.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 91' ' ' LEU . 50.3 mt -36.69 -35.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.86 -45.47 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 66.9 mt -55.6 -43.63 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.4 mt -54.21 -27.59 35.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.7 22.67 9.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -123.8 -50.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.442 ' CG1' ' HE2' ' A' ' 65' ' ' LYS . 11.6 p -56.8 -25.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.406 ' N ' HG11 ' A' ' 98' ' ' VAL . 9.4 t -93.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -45.0 -45.28 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.447 ' O ' ' CD ' ' A' ' 101' ' ' GLN . 0.2 OUTLIER 66.37 41.37 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -167.63 161.86 13.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.39 72.17 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -131.36 166.2 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.2 t -159.22 130.75 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.7 m -164.41 114.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -159.94 118.18 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.7 t -132.06 111.86 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -121.82 145.85 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -52.94 119.88 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -101.49 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 48.09 41.19 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -43.15 -55.95 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 145.39 83.38 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.54 3.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -99.83 123.6 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p -102.78 140.74 36.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -171.36 175.39 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -140.54 177.89 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.19 179.71 32.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -147.97 176.14 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -130.92 138.12 49.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 -162.99 30.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD13 ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -165.46 125.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' N ' HD13 ' A' ' 8' ' ' LEU . 1.6 mpp_? -68.87 173.32 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.9 171.01 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.49 175.38 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -92.67 175.71 6.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mp -70.39 170.77 11.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.46 139.55 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.33 156.68 17.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -119.79 170.34 9.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.49 131.79 56.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 143.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 125.71 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -81.51 136.67 35.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.23 -64.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.514 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -38.74 157.22 0.11 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 25' ' ' ASP . 53.3 Cg_endo -69.84 -48.3 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.72 -78.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' PRO . 82.0 m-20 -40.81 -50.58 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.02 -51.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.83 -53.44 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.9 tt0 -36.94 -59.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.38 -37.93 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.5 tp10 -81.14 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.89 -59.25 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -44.0 -38.3 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -56.47 -58.44 8.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -57.16 -36.8 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -62.6 -22.64 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.65 -14.32 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -93.06 -45.72 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.8 ptm -64.31 -37.59 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.38 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -59.48 -48.3 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -63.35 -63.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.8 mt -43.91 -38.99 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.7 -44.89 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.45 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -77.58 -24.79 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.1 m -96.9 -15.89 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.02 156.89 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -112.07 162.11 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -42.09 -35.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -62.03 -71.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.9 -48.83 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -37.83 -50.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.01 -63.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -46.56 -49.09 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.13 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -45.95 -47.41 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -51.13 -46.4 61.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.7 tp -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.05 -9.55 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.92 -69.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.23 -37.04 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 pttt -169.28 105.0 0.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.5 Cg_endo -69.75 -38.02 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' PRO . 22.1 tt0 -37.77 -69.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.11 -47.5 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -49.88 -48.84 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -50.2 -60.5 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.64 -54.32 7.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.4 t -53.99 -61.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -40.26 -40.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -72.04 -43.16 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -49.43 -53.34 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.4 mt -58.08 -51.48 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 88.1 mt -43.98 -60.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 43.0 mt-30 -49.26 -50.06 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.4 mtm -54.78 -32.32 59.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.23 -68.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 2.8 m-85 -64.78 -39.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.54 33.34 5.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -92.65 -21.34 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.3 mt -88.79 133.01 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.7 m -111.1 -42.76 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -123.29 168.88 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -71.79 114.43 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.89 125.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' GLU . 60.6 p -99.2 171.12 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' SER . 9.6 tt0 -36.25 -59.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -45.55 -65.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.01 -54.8 9.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -49.89 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 58.1 mt -35.43 -37.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -43.96 38.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -51.5 -42.2 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.3 mt -56.81 -33.96 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -72.23 -3.83 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -102.02 -53.21 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 1.9 p -72.31 -32.41 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.5 p -51.57 -53.98 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.41 -42.12 91.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -62.17 163.02 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.6 t 40.94 34.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -106.75 114.1 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -99.82 -55.92 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 t 39.72 40.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 t -97.54 121.44 39.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.7 p -137.6 166.6 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.7 p -105.65 36.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 110' ' ' PHE . 9.3 tmtt? -147.98 142.83 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.456 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 4.6 p90 -159.0 174.57 14.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -122.8 126.59 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -74.86 149.78 39.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t 50.8 48.61 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.11 -94.38 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.17 25.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.0 m -160.58 151.76 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.9 p -159.05 173.94 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -126.57 -46.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -81.04 147.84 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.0 -154.52 8.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -145.76 162.49 37.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 110.822 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -132.5 142.12 49.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.52 -167.4 41.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -141.7 179.39 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -131.7 172.52 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -140.31 179.41 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -95.56 -177.4 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.08 162.29 31.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -115.11 -178.69 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.89 174.06 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.7 157.74 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.6 mt -103.96 -178.34 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -116.87 -178.33 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.55 179.42 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 111.0 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -101.58 169.84 8.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.33 106.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -160.71 157.75 23.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.61 -176.25 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 51.88 25.28 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.3 -28.25 31.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.97 -10.15 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.05 -35.97 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -59.94 -20.33 56.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.27 -24.61 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.16 -31.94 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 14.0 ptpt -79.16 -27.16 42.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.23 -37.34 86.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 37' ' ' GLU . 13.1 mmt180 -61.33 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 5.2 pt-20 -37.28 -34.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.76 -37.56 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' ARG . 10.7 mm-40 -56.16 -44.89 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.468 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 5.7 ptp -67.57 -36.44 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' N ' ' HG3' ' A' ' 38' ' ' MET . 94.4 mtt180 -68.05 -39.69 82.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -57.92 -46.83 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -65.81 -49.42 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 mt -58.35 -32.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 mt -75.72 -32.75 60.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.29 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -70.72 -35.68 72.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.86 -21.08 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 91' ' ' LEU . 21.7 mt -117.18 117.66 30.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 49' ' ' GLN . 13.3 t70 -70.39 167.59 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 1.9 tt0 -48.97 -43.29 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 m -55.2 -52.32 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.2 -48.4 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -41.48 -46.66 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -63.11 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -49.07 -56.35 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.4 tp -41.9 -38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -69.94 -42.33 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -51.94 -41.37 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.14 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.16 -11.48 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -93.94 -63.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 62' ' ' LYS . 4.4 p -55.34 -38.89 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.463 ' N ' HG12 ' A' ' 61' ' ' VAL . 4.0 pttm -171.91 104.97 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.9 Cg_endo -69.75 -43.04 2.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.6 tt0 -34.66 -54.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.56 -49.95 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 67' ' ' LYS . 7.9 m -52.05 -54.66 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' THR . 24.8 mtpt -36.72 -62.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.05 -66.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG23 ' CD2' ' A' ' 95' ' ' LEU . 61.0 t -41.01 -60.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -39.67 -49.33 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -71.94 -35.45 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.486 ' CD2' ' CG2' ' A' ' 98' ' ' VAL . 5.3 t80 -57.86 -38.09 75.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.6 mt -72.09 -47.44 51.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 44.6 mt -49.63 -48.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.59 -38.63 85.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.9 mtm -72.63 -31.92 65.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -39.54 -62.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -53.0 -50.7 63.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.24 37.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.37 -45.03 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.01 104.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.4 p -45.91 -65.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -150.3 172.98 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -39.43 121.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.7 t -78.88 122.47 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 53.2 p -89.39 168.8 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.0 tt0 -36.51 -61.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.11 -49.57 63.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.92 -31.97 69.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -67.48 -64.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -37.48 -37.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.5 -43.65 98.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.5 mt -54.97 -48.71 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.441 ' CD2' HG23 ' A' ' 69' ' ' VAL . 21.5 mt -54.07 -34.53 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.47 ' N ' ' HE2' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -69.21 -18.69 63.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -95.37 -45.49 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.486 ' CG2' ' CD2' ' A' ' 72' ' ' TYR . 42.8 t -68.25 -55.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.5 t -39.55 -62.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.54 -39.68 67.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.425 ' O ' ' CG2' ' A' ' 102' ' ' THR . 17.7 tp60 -47.81 125.49 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 101' ' ' GLN . 9.4 t 42.32 42.86 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -45.6 136.35 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -102.14 -65.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.2 t -162.02 124.9 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -61.96 -49.36 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.8 m 51.85 32.09 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 p -172.06 149.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -81.61 145.59 30.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -103.54 160.56 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -163.59 166.26 22.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 127.01 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.8 m -46.63 154.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.04 167.99 35.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 178.15 4.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.1 t -105.15 177.25 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -42.7 -59.14 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -169.8 112.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -66.3 -60.3 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.87 118.33 4.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -137.31 149.6 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -125.71 -49.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.13 176.14 24.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 pp -90.45 173.14 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttp180 -116.58 -50.92 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -108.84 86.25 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.33 152.01 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 170.06 15.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -145.87 128.64 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.28 111.71 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.68 173.74 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -123.29 151.85 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -114.81 132.66 56.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.03 150.27 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -55.26 -60.84 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -42.65 -44.19 4.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.79 71.81 0.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.59 144.0 50.52 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.09 -132.67 36.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -37.11 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.18 -40.64 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -64.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -38.4 -51.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.58 -47.05 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.28 -53.34 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -47.71 -38.77 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -53.43 -49.77 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -57.84 -43.39 85.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.8 -28.99 25.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.44 -19.17 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.86 -44.4 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.6 ptp -67.56 -35.41 78.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 38' ' ' MET . 2.2 ptm85 -73.48 -32.08 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -85.6 -27.17 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m -82.81 -43.09 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -66.75 -30.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' CD2' ' HB2' ' A' ' 73' ' ' LEU . 74.5 mt -81.25 -29.94 34.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -26.97 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.13 -36.12 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.4 m -81.36 -20.37 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.3 mt -109.36 123.37 49.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 175.17 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -59.51 -50.76 72.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.3 m -49.79 -56.2 11.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -58.97 -51.87 68.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.7 mmm-85 -35.71 -53.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.58 86.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -59.74 -52.25 66.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.31 -49.16 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -56.63 -49.28 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.71 -30.83 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -76.12 -27.52 57.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.0 -6.77 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.05 -65.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.81 -38.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 pttm -170.68 104.97 0.41 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.0 Cg_endo -69.76 -46.19 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.0 pt-20 -35.27 -43.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -67.86 -50.65 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -59.3 -32.73 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -55.9 -47.61 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.32 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 72' ' ' TYR . 30.1 t -51.18 -64.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' VAL . 42.7 mt-10 -34.8 -39.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.81 -41.32 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' VAL . 51.2 t80 -57.8 -43.17 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.429 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . 23.7 mt -62.71 -59.99 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' LEU . 63.2 mt -36.9 -51.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.4 -47.28 76.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 mtm -61.63 -30.63 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -71.83 -57.11 4.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -43.56 -48.62 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.36 -16.78 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 69.95 27.92 72.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.61 -14.65 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.44 122.49 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 t -60.87 -58.12 9.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.08 171.53 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -40.42 117.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.18 126.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLU . 96.8 p -101.27 169.85 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.11 -62.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -42.26 -65.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.07 -57.61 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -45.2 -64.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.0 mt -40.55 -40.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -69.25 -34.22 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.486 ' N ' ' O ' ' A' ' 91' ' ' LEU . 46.2 mt -67.47 -36.39 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.8 -11.94 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -103.82 -14.67 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -101.06 -34.05 9.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.48 -26.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -45.02 -54.79 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -83.04 -47.49 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -76.03 80.26 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.3 t -169.46 124.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -150.62 143.16 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 104.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.2 p -138.7 -179.77 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.1 m 63.79 39.32 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.6 p -122.16 88.47 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 m -149.09 153.96 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -128.76 89.39 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -94.71 97.63 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -139.97 118.91 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' SER . 20.8 ttp180 -161.47 129.68 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 112' ' ' ARG . 4.1 t 34.55 46.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.31 146.07 40.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.0 25.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 p -67.49 112.1 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.0 t -65.88 113.08 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 45.29 42.94 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -121.31 140.91 51.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.12 179.79 19.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -159.67 176.61 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -161.99 169.34 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.43 -167.6 24.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 mt -140.71 171.38 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -139.93 150.49 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -129.07 172.77 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -150.43 179.98 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -146.38 144.98 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 tp -113.4 144.72 42.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.09 171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -119.15 175.56 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.42 157.58 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -114.53 166.94 11.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -79.78 97.08 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 74.9 t60 53.05 38.34 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.07 167.9 51.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.55 142.33 98.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.363 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.18 -139.29 27.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.53 -19.19 14.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -27.35 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.18 -53.5 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.86 -16.22 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -81.38 -38.19 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -53.55 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.28 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -66.95 -30.99 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.97 -30.22 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -63.78 -36.4 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 9.1 tt0 -53.83 -33.93 57.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.47 ' HA ' ' CG ' ' A' ' 39' ' ' ARG . . . -82.2 -19.5 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.01 -29.24 23.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.471 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 3.1 ptp -86.52 -36.8 18.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 35' ' ' GLU . 0.2 OUTLIER -72.92 -25.31 61.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -82.46 -26.8 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 m -87.84 -37.44 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.71 -29.19 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.9 mt -79.33 -31.66 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.99 -35.8 64.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.28 -35.82 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 31.6 m -82.64 -15.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.1 mt -115.37 119.73 37.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.39 164.91 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -46.38 -56.62 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.2 m -45.32 -50.26 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.1 -52.08 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.9 mmm180 -37.84 -51.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.94 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -61.13 -52.91 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.12 -53.8 19.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -51.36 -36.33 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.9 tp -74.19 -26.41 60.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -3.18 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.53 -68.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.4 p -51.4 -34.44 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -169.77 104.96 0.45 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -41.27 4.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.62 -61.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -52.81 -38.09 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -70.58 -31.54 68.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.41 -49.03 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG23 ' CD2' ' A' ' 95' ' ' LEU . 83.1 t -42.77 -56.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -46.23 -52.24 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -71.17 -19.87 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -77.59 -35.53 52.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.3 mt -73.4 -47.88 38.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -47.5 -55.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.18 -49.08 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.1 mtm -62.09 -36.94 83.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.51 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -53.45 -54.72 32.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -55.13 -54.19 46.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.33 30.71 1.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.8 -51.79 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.62 110.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -70.67 -68.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -117.38 -177.37 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -68.48 120.83 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.32 117.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' GLU . 64.5 p -90.95 172.27 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.04 -62.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.56 -50.7 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.63 -51.35 59.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.7 tp -52.51 -55.39 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.958 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.6 mt -47.15 -38.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -65.57 -40.15 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 38.3 mt -62.07 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.404 ' CD2' HG23 ' A' ' 69' ' ' VAL . 15.5 mt -63.92 -16.85 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -89.62 -28.08 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -34.84 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLN . 14.0 t -73.87 -56.19 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' VAL . 16.1 t -37.01 -48.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -59.11 -40.53 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 98' ' ' VAL . 29.2 mt-30 -59.62 -174.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.96 49.94 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -172.82 176.65 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -102.87 151.06 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.7 t -54.53 158.19 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -124.96 12.04 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -104.1 106.05 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.7 m -98.59 136.08 30.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -83.46 133.11 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -140.3 168.08 20.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -154.49 145.5 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -155.68 154.68 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p 45.59 46.72 11.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.14 -85.28 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 61.8 m -149.05 163.25 38.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.6 m -109.62 129.01 55.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -167.7 168.47 12.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -174.22 139.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.21 157.47 29.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -162.72 171.39 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -167.55 169.73 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.01 115.95 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.25 118.3 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.1 mtm180 -122.73 162.23 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -172.41 152.46 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -147.62 163.53 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 146.87 31.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -48.42 172.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.88 132.86 19.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -86.82 138.65 31.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 17' ' ' GLN . 3.7 pp -85.25 -43.13 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' N ' HD13 ' A' ' 16' ' ' LEU . 18.4 pt20 33.76 53.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -93.8 122.43 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -77.54 -57.62 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -40.66 -69.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.65 105.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.34 150.06 40.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.6 Cg_endo -69.83 4.36 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -32.29 -46.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 m-20 -46.52 -53.23 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -34.67 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -66.03 -46.67 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' ASP . 6.6 pt20 -60.69 -42.81 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 88.1 mt-30 -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -53.08 -54.63 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -14.46 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -80.84 -29.2 35.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.03 -28.69 69.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -50.1 -51.25 44.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -48.44 -32.01 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.21 -30.78 22.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -71.82 -35.17 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 ptm -74.89 -52.58 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.5 -32.08 73.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -61.57 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.3 m -74.52 -45.38 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.3 -21.75 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' CD2' HD13 ' A' ' 74' ' ' ILE . 13.9 mt -80.46 -38.79 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.84 -41.17 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -63.32 -35.98 82.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.9 m -87.21 -17.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -107.99 170.01 8.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 11.9 t0 -128.24 158.66 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp60 -38.05 -43.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -56.3 -71.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -47.47 -53.23 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ALA . 48.8 mmm-85 -35.51 -43.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 -60.7 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -53.6 -55.97 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.58 -54.2 24.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 m -57.26 -39.67 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.43 -32.44 70.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.7 -26.51 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -5.8 12.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -98.94 -65.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 62' ' ' LYS . 14.9 p -56.58 -29.19 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 61' ' ' VAL . 10.5 pttt -173.48 105.05 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.2 Cg_endo -69.81 -33.67 15.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -48.48 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -46.25 -40.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -66.51 -36.27 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -54.01 -48.84 70.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.92 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.6 t -43.98 -57.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' O ' ' CD1' ' A' ' 74' ' ' ILE . 39.5 mt-10 -47.25 -56.3 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -58.71 -34.0 70.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.473 ' CE2' ' SD ' ' A' ' 76' ' ' MET . 81.6 t80 -64.6 -31.23 72.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ILE . 26.6 mt -76.27 -61.04 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.8 mp -36.15 -51.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -57.37 -47.65 81.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.473 ' SD ' ' CE2' ' A' ' 72' ' ' TYR . 19.7 mtp -57.23 -31.84 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.89 -52.73 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -49.66 -55.47 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -51.32 -48.1 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.51 39.06 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -94.57 -39.98 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.8 mt -67.07 144.99 55.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.7 m -114.29 -60.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -109.64 171.3 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -68.95 115.26 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.81 124.73 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -97.28 179.06 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -37.06 -53.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' GLY . 41.1 mt-30 -56.22 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLN . . . -36.7 -42.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -61.22 -74.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 91' ' ' LEU . 21.3 mt -32.25 -41.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.0 -48.39 78.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.7 mt -64.79 -33.75 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.444 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -57.15 -30.43 64.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -85.62 -0.07 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -101.68 -60.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.4 p -54.41 -38.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 t -57.57 -43.85 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -69.34 -52.26 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -168.46 176.83 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.1 t -118.82 -42.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -54.62 -62.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -147.92 149.56 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.2 p -119.39 107.69 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -128.34 -44.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.2 p 43.9 39.88 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.1 m -149.73 156.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -107.36 -50.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -111.46 148.34 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -121.33 166.83 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 114' ' ' GLY . 36.5 m -125.27 138.59 54.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 113' ' ' SER . . . 36.57 69.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.85 37.35 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.1 m -86.13 -52.11 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m 61.74 45.32 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -171.11 168.26 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -167.85 177.52 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.65 -167.38 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -173.62 178.17 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -147.18 179.4 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.8 13.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.71 145.07 24.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -125.49 174.88 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -146.83 -179.02 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -122.3 175.4 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -150.64 164.57 35.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.38 176.33 5.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.84 154.51 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -109.88 158.04 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -90.92 105.38 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -107.74 163.33 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.86 142.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -150.21 167.05 28.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -100.71 173.33 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.07 111.7 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.424 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -138.91 156.16 72.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.8 Cg_endo -69.8 3.01 3.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -34.73 -39.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -50.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.58 47.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -73.08 -54.77 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' ALA . 19.5 tt0 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.97 -46.06 82.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . 55.7 mm-40 -58.4 -49.97 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.36 43.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -64.35 -51.68 62.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -52.66 -34.77 53.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -52.34 -31.21 32.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.24 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.64 -39.18 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.7 ptp -64.78 -40.54 95.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 38' ' ' MET . 92.9 mtt180 -65.41 -41.5 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -64.84 -32.92 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -81.54 -40.18 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.45 -36.43 73.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.77 -27.68 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.99 -30.67 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.39 -39.18 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.67 -11.81 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.8 mt -125.32 112.21 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.03 175.17 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 49' ' ' GLN . 8.5 tm0? -51.11 -45.76 61.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -51.6 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.0 -49.82 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.6 mmm180 -36.21 -46.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -54.08 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -53.68 -33.54 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.78 -63.2 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.8 t -50.74 -28.19 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.51 -50.23 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.92 -39.34 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.99 -25.11 4.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.83 -70.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -48.53 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -147.98 104.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.87 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -51.44 2.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -50.85 -63.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' THR . 49.3 mttp -34.12 -57.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.41 -54.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG22 ' CD2' ' A' ' 95' ' ' LEU . 95.2 t -48.44 -54.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -42.37 -59.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -53.75 -33.34 55.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.55 -54.56 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 mt -57.47 -12.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 42.1 mt -86.4 -48.27 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -52.6 -44.52 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.415 ' SD ' ' CD2' ' A' ' 82' ' ' LEU . 0.5 OUTLIER -60.29 -43.9 95.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.72 -61.39 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -48.39 -45.64 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.37 43.02 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -101.59 -35.32 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.415 ' CD2' ' SD ' ' A' ' 76' ' ' MET . 13.1 mt -59.09 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.7 m 52.74 26.48 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.96 172.47 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -89.25 121.48 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 142.9 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 86.8 p -113.74 163.35 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.8 tt0 -34.65 -57.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -48.71 -55.13 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -56.65 20.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -47.55 -62.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.4 -47.39 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -37.26 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 78.3 mt -69.36 -40.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' CD2' HG22 ' A' ' 69' ' ' VAL . 77.9 mt -55.52 -20.44 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -103.6 21.45 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -125.58 -51.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.7 p -55.41 -22.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 m -65.62 -29.65 70.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -104.58 -42.2 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 55.51 37.87 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.0 t -174.82 146.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -105.59 28.69 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 103' ' ' GLU . 10.2 tmtt? -34.9 -63.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.1 t -164.98 132.19 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.3 p -87.14 79.65 8.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -172.05 127.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.401 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.4 OUTLIER -149.53 158.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -156.99 144.38 18.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 109' ' ' LYS . 8.5 m-85 -168.79 124.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -154.72 155.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -148.54 137.2 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -136.71 160.21 39.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -161.38 82.76 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 173.23 11.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -162.76 177.82 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.8 t -148.74 165.65 30.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -125.69 150.98 47.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -92.52 155.74 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.37 142.52 16.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -117.01 -44.17 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -75.1 -43.94 50.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.73 -160.57 49.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.45 104.64 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -124.2 90.21 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' C ' ' HG2' ' A' ' 11' ' ' GLN . 8.8 mtt85 -78.02 149.02 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' HG2' ' C ' ' A' ' 10' ' ' ARG . 33.5 mm-40 -156.94 149.02 22.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -121.97 157.35 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.22 111.22 23.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.17 -14.63 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -146.7 143.13 28.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.4 mt -141.39 174.28 10.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -122.66 128.99 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.61 138.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -159.94 129.03 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -110.44 123.29 49.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.46 53.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -122.84 144.11 42.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -21.37 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.285 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 -141.8 16.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -39.38 -46.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.843 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -34.11 -56.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.54 -48.06 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' GLN . 34.2 tp60 -42.1 -52.3 4.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' GLN . 11.0 pt20 -37.58 -37.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.75 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.67 -54.12 10.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 15.8 ptpt -42.04 -31.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 2.6 t-80 -65.55 -60.51 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -58.39 -34.42 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -70.67 -21.84 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -77.29 -24.44 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.86 -60.67 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 ptm -47.46 -45.52 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 22.7 ptt85 -63.14 -52.21 63.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.468 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 62.4 m-20 -38.85 -48.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -70.93 -57.11 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 41.7 mt -49.27 -25.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' CD2' HD13 ' A' ' 74' ' ' ILE . 42.7 mt -77.09 -45.33 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -11.6 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -96.09 -28.31 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.9 m -97.82 -13.74 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 36.4 mt -116.35 149.85 38.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.7 t70 -97.84 146.2 25.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ASP . 10.9 tm0? -36.32 -33.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' ASP . 14.9 m -67.39 -61.21 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.77 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.6 mmm180 -42.93 -59.38 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.84 -60.61 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -44.57 -45.41 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' SER . 6.9 tp -67.23 -70.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 55' ' ' LEU . 1.1 t -36.48 -42.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -46.26 -52.79 11.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.08 -32.86 70.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.01 -35.83 26.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.46 -72.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' H ' ' A' ' 62' ' ' LYS . 3.0 m -44.81 -60.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' H ' ' CG2' ' A' ' 61' ' ' VAL . 7.0 pttt -142.46 110.48 5.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -43.62 2.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.9 mm-40 -38.92 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -34.42 -69.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -44.47 -49.6 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' THR . 6.3 ttmt -37.55 -43.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.28 -59.23 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' HD23 ' A' ' 95' ' ' LEU . 20.3 t -47.39 -54.55 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -46.51 -55.7 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -59.39 -41.56 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -52.91 -30.95 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.96 -57.9 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 43' ' ' LEU . 2.6 mp -38.56 -56.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -49.85 -49.16 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.0 mtm -57.29 -33.01 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.47 -58.42 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -42.08 -59.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -47.88 -50.99 24.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.44 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.07 -46.35 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.9 mt -51.34 127.35 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -95.1 -54.25 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -124.36 173.6 8.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -67.58 120.87 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.406 ' HB ' ' CD2' ' A' ' 47' ' ' LEU . 79.3 t -51.05 136.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 59.6 p -102.36 160.33 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 15.2 tt0 -35.2 -59.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.75 -57.69 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.66 -54.84 23.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -50.91 -62.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -38.28 -35.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -76.63 -39.29 52.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' LEU . 58.7 mt -69.74 -21.91 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.406 HD23 ' CG2' ' A' ' 69' ' ' VAL . 11.0 mt -70.89 -32.16 69.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.75 21.67 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -118.6 -44.04 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.44 ' N ' ' CG ' ' A' ' 97' ' ' LYS . 4.1 p -60.85 -35.02 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 p -54.7 -20.58 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -87.39 -49.47 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -77.3 170.22 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.8 t -119.81 119.25 33.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.49 176.0 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -147.9 172.68 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -142.3 137.03 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.4 m -103.08 135.91 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 78.7 p -99.42 142.12 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.5 p -124.27 144.7 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -70.08 161.61 29.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.456 ' CB ' ' HD3' ' A' ' 115' ' ' PRO . 26.2 p90 -82.42 124.09 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -108.77 -60.0 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.86 125.38 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.0 t 43.64 46.36 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.6 -90.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.456 ' HD3' ' CB ' ' A' ' 110' ' ' PHE . 53.2 Cg_endo -69.76 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.1 t 58.83 42.43 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.9 p -115.23 168.59 9.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -67.61 159.17 30.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -67.75 140.64 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.86 139.03 2.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.77 112.02 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -157.43 135.42 10.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.78 70.75 0.12 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.98 157.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -114.95 63.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -80.41 174.24 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -127.79 122.5 32.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -144.88 131.89 20.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -138.92 110.63 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.01 145.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.65 137.72 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.2 mt -150.27 119.07 6.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -132.72 147.62 52.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.86 -177.8 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -115.33 -68.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -121.51 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.25 -112.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.27 138.72 14.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -9.22 25.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -39.54 92.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PRO . 41.3 m-20 36.16 30.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -87.24 -26.93 23.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -93.01 -55.1 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' ALA . 30.9 tp60 -35.55 -44.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' NE2' ' HB2' ' A' ' 113' ' ' SER . 15.6 pt20 -70.85 -41.93 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.6 tp10 -71.13 -62.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -45.5 -66.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HA ' ' CD ' ' A' ' 35' ' ' GLU . 20.0 pttt -37.21 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' ALA . 1.3 t-80 -79.54 -42.6 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . 23.4 mmm-85 -64.17 -48.33 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' CD ' ' HA ' ' A' ' 32' ' ' LYS . 6.2 pt-20 -50.72 -32.43 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.61 -31.94 14.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.89 -18.44 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.5 ptm -88.35 -51.93 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -63.92 -47.1 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -46.9 -38.06 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -80.34 -44.07 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.0 mt -67.02 -19.44 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -87.45 -25.85 23.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.22 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -98.09 -33.66 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -86.97 -28.79 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' CD1' HD21 ' A' ' 55' ' ' LEU . 83.1 mt -102.76 147.8 26.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 6.7 t70 -99.45 157.9 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 8.2 tp60 -37.18 -35.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.4 m -63.17 -71.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.89 -30.19 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -58.49 -47.28 84.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.92 -59.55 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -53.74 -49.39 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' CD1' ' A' ' 47' ' ' LEU . 18.8 tp -50.36 -39.78 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -70.16 -45.23 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -55.18 -42.33 73.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 14.9 tp -53.8 -44.73 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.45 -22.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -81.65 -61.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -56.21 -40.04 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -166.36 106.55 0.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -20.88 34.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.25 -66.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -45.53 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -38.39 -61.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -43.33 -66.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.9 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.443 HG21 ' CD2' ' A' ' 95' ' ' LEU . 38.5 t -53.36 -59.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -43.56 -57.16 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -58.68 -40.45 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 14.5 t80 -58.33 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.12 -56.56 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.2 mt -40.0 -57.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -50.44 -41.15 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.8 mtm -68.81 -32.48 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.62 -59.35 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -43.07 -58.12 2.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -55.18 -49.59 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.69 32.46 2.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.541 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -82.01 -43.91 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.8 mt -53.82 130.4 36.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 t -94.82 -57.47 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -123.51 173.32 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -66.48 135.37 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.5 t -76.5 134.73 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 88' ' ' GLU . 17.6 t -106.43 166.01 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 87' ' ' SER . 11.5 tt0 -37.01 -63.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -45.61 -57.54 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.09 61.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.3 tp -51.7 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 16.6 mt -35.73 -50.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.469 ' HA ' ' CE ' ' A' ' 96' ' ' LYS . 18.2 mm-40 -54.82 -40.69 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.498 ' N ' ' O ' ' A' ' 91' ' ' LEU . 55.1 mt -67.71 -30.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' CD2' HG21 ' A' ' 69' ' ' VAL . 81.6 mt -68.28 -21.83 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.469 ' CE ' ' HA ' ' A' ' 93' ' ' GLU . 9.7 mtmt -106.05 -7.39 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 98' ' ' VAL . 0.0 OUTLIER -101.9 -35.19 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.477 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 14.8 p -68.46 -10.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.6 p -60.13 -40.85 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.26 -52.24 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -60.34 162.64 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.2 t -107.7 -179.91 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.62 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -123.89 157.76 33.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.0 p -87.97 167.36 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.9 p -82.49 -179.7 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 t -118.01 167.0 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG21 ' N ' ' A' ' 109' ' ' LYS . 12.3 p -84.46 144.74 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.41 ' N ' HG21 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -146.9 144.18 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -135.31 116.59 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.47 ' OD1' ' CB ' ' A' ' 30' ' ' GLU . 6.5 p30 -155.21 133.1 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -75.52 146.1 40.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.434 ' HB2' ' NE2' ' A' ' 29' ' ' GLN . 4.6 p -118.93 111.56 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -147.13 144.92 13.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 115.67 4.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -66.2 105.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 t -61.42 131.29 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -108.12 162.43 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -94.4 -51.54 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.02 97.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -150.97 162.39 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -111.79 104.5 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.53 -179.24 41.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 97.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 54.76 41.97 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 47.54 43.41 15.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -90.17 86.73 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -100.68 130.66 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -140.63 133.18 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.89 123.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -100.43 136.4 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -120.32 119.7 33.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -133.69 135.0 43.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.66 115.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -114.65 110.84 20.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -172.58 135.21 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.788 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.93 177.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -127.54 146.84 60.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -44.24 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.38 -178.68 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' ALA . 17.5 m-20 -41.96 -47.26 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -35.52 -57.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 28' ' ' GLN . . . -86.63 -47.33 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ALA . 39.8 tt0 -35.3 -67.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 28.3 mm-40 -35.23 -39.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.2 tp10 -80.38 -55.46 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 6.3 ptmt -39.83 -32.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.411 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 5.9 t-80 -64.92 -50.38 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HD2' ' CD ' ' A' ' 37' ' ' GLU . 15.0 mmm180 -67.71 -14.77 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -85.89 -16.58 38.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.87 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -81.87 -44.37 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.416 ' CG ' ' N ' ' A' ' 39' ' ' ARG . 19.7 ptm -67.4 -49.73 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 10.2 ptm180 -54.87 -42.79 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.432 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 15.8 m-20 -53.01 -58.49 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ALA . 61.9 m -61.81 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 30.2 mt -40.14 -35.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.85 -40.97 88.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' SER . . . -74.12 -24.57 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.57 -30.09 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -90.55 -22.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -105.98 155.15 19.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.3 t70 -107.49 152.11 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ASP . 33.7 tt0 -34.75 -43.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -59.77 -61.0 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.02 -43.13 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -43.61 -45.62 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.15 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -47.61 -47.68 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.26 -64.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.8 t -41.3 -55.53 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -46.26 -52.7 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.8 tp -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.76 -39.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.88 -50.24 57.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LEU . 48.3 t -68.06 -60.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.17 90.4 45.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -19.63 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.32 -50.46 10.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -63.75 -40.43 96.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -48.77 -45.63 40.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.09 -58.11 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 72' ' ' TYR . 94.1 t -45.62 -64.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' VAL . 28.2 mt-10 -36.46 -47.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -73.85 -35.87 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 69' ' ' VAL . 9.8 t80 -62.08 -43.2 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.34 -53.36 53.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -43.32 -55.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.58 -43.92 62.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.97 -31.37 70.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.65 78.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.12 -49.85 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -55.15 -35.2 64.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.67 39.4 4.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.04 -42.46 8.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -58.63 120.33 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 m -78.86 -45.17 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.84 171.31 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.54 116.59 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.51 141.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.5 t -105.09 159.83 15.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' SER . 26.1 tt0 -35.44 -55.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.91 -61.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.56 -53.96 29.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.4 tp -43.26 -58.98 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.4 mt -41.64 -55.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.55 -50.36 74.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 97' ' ' LYS . 35.2 mt -46.99 -57.93 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 69' ' ' VAL . 6.7 mt -37.79 -44.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -74.83 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 36.4 mttm -65.5 -52.95 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.48 HG12 ' CD2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -47.36 -24.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.2 t -51.39 -37.69 49.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.29 -37.4 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -83.07 77.2 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -166.31 141.49 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.21 150.8 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.14 156.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -130.75 137.79 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.6 t -126.31 141.11 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.9 p -156.58 135.92 12.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.66 119.4 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -68.67 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -163.15 -178.87 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -75.67 163.35 27.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.402 ' C ' ' HD3' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -148.38 145.88 28.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 t -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.35 83.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 145.61 57.63 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -133.22 -179.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.4 m -125.01 150.26 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -171.29 168.84 6.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -173.96 176.54 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.47 169.68 39.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -173.49 150.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 169.76 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.25 156.28 32.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.95 -74.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -171.44 121.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 4.8 mmp_? -102.32 173.79 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -172.72 127.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -170.85 119.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 mt -154.3 164.81 37.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.31 144.22 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.14 116.21 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.523 ' CD1' ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -71.63 169.0 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.82 160.81 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.61 -178.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -141.63 160.97 39.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -124.34 157.24 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' ASP . . . -59.0 160.26 16.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 21' ' ' GLY . 16.0 m-20 -161.85 148.9 11.43 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.7 Cg_endo -69.75 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -35.71 -44.22 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -41.32 -52.88 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.14 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.89 90.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' GLN . 2.2 tp-100 -45.06 -58.14 3.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLN . 73.5 mt-30 -37.93 -36.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -76.7 -48.21 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.93 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -56.66 -17.68 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -72.62 -46.47 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -59.49 -36.5 76.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.92 -25.37 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.68 -17.67 33.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.06 -55.27 3.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.4 ptm -50.44 -43.4 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.491 ' CG ' ' N ' ' A' ' 40' ' ' ASN . 29.0 ptt180 -63.91 -49.94 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.491 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 3.6 t-20 -41.39 -52.28 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -62.55 -44.7 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 29.8 mt -59.62 -27.06 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.4 mt -83.13 -33.23 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.15 60.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -78.98 -34.76 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.8 m -83.25 -14.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.5 mt -115.69 130.53 56.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.67 163.86 25.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.88 -46.54 42.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -57.1 -56.82 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.49 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -49.95 -50.04 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.54 -52.99 33.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.42 -56.97 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.1 tp -44.79 -36.4 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -72.91 -37.09 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.443 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 18.5 tp -62.6 -31.83 72.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.08 -8.9 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.7 -62.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.0 p -53.09 -46.57 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -160.96 105.02 1.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.915 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.8 13.78 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.57 -33.84 23.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -82.78 -41.18 19.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -58.18 -36.41 73.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -59.94 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.21 -51.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -57.23 -48.26 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.01 -48.79 67.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -66.62 -40.0 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -54.07 -56.15 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' ILE . 34.9 mt -50.41 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' ALA . 18.3 mt -35.49 -65.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -40.82 -51.5 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.5 mtm -60.07 -31.31 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -71.46 -55.62 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -47.9 -48.8 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -63.24 -48.92 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.63 40.17 1.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -92.05 -41.2 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.7 mt -67.07 91.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 m -59.86 -54.26 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -125.97 165.43 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -53.76 158.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.5 t -107.27 125.77 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' GLU . 2.4 m -88.55 166.64 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.0 tm-20 -34.37 -54.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.25 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.99 -45.9 6.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.1 tp -54.22 -70.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 93.7 mt -39.45 -36.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.42 -38.91 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 91' ' ' LEU . 96.0 mt -62.73 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 58' ' ' LEU . 5.4 mp -59.16 -19.67 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.75 -8.28 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -103.66 -46.68 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.6 p -61.99 -12.96 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 p -68.45 -11.18 59.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -87.04 -53.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.417 ' C ' HG23 ' A' ' 102' ' ' THR . 11.1 pt20 41.04 42.25 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 101' ' ' GLN . 10.0 t 36.56 49.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.68 -55.15 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -59.05 168.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.9 p -117.43 38.45 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 54.8 m -39.43 -47.09 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.47 141.49 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.5 t -143.21 133.38 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -159.85 152.52 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.01 106.71 12.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -129.26 152.8 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -162.06 137.13 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 m -44.12 -52.51 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.62 -163.78 24.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.07 24.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m 59.09 42.01 19.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.4 t -104.34 -45.09 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -169.48 162.2 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -169.64 172.51 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 148.45 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -155.19 164.2 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -168.11 167.1 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.09 134.26 2.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -143.91 170.74 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -148.19 120.87 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -132.05 135.13 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -130.71 114.08 14.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 ' O ' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -115.93 -24.58 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.99 139.96 8.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -127.62 120.87 29.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 16' ' ' LEU . 1.4 pt? -128.51 176.63 7.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.71 143.21 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -166.89 -179.5 4.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' CE ' ' HA ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -121.51 -58.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -111.42 154.29 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' ASP . . . 72.11 -79.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.2 t70 -35.48 141.15 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . 54.1 Cg_endo -69.71 1.97 3.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -35.11 151.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 67.85 27.92 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.45 -23.49 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.45 -22.78 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -54.05 -37.28 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -53.57 -32.95 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -71.35 -35.66 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.68 -55.79 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.02 -18.24 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -76.72 -22.56 53.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -62.19 -22.4 65.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.24 -17.12 47.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.83 -16.28 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -89.41 -43.76 10.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.41 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 4.3 ptp -66.18 -35.65 81.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 9.3 ptp180 -70.97 -35.34 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 34.5 m-20 -78.72 -15.81 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -92.08 -48.3 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -64.01 -19.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.06 -28.46 24.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.17 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.34 -36.68 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -85.27 -13.94 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.5 mt -117.35 123.18 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 33.2 t70 -74.43 149.91 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' ASP . 7.4 tt0 -34.56 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' ASP . 63.4 p -65.29 -62.98 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.03 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -41.76 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -64.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -42.13 -47.02 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 tp -57.28 -64.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -44.41 -45.63 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -55.14 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.39 -37.59 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.05 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -79.98 -54.4 5.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 62' ' ' LYS . 5.7 p -61.85 -44.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 61' ' ' VAL . 3.4 pttm -164.54 115.59 0.93 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -19.17 36.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -50.39 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -39.41 -59.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ALA . 0.3 OUTLIER -41.55 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' THR . 36.8 mtmt -34.97 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' THR . . . -73.89 -49.71 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' THR . 89.5 t -62.95 -51.95 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -41.52 -43.32 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.58 -43.37 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -57.67 -47.7 81.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.83 -47.71 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.9 mt -55.08 -52.16 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.49 -34.88 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.9 mtm -62.69 -42.5 99.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.46 -51.27 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -43.54 -56.49 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -52.12 -55.41 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.77 25.58 2.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.07 -45.99 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.91 108.35 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -95.01 -52.26 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -104.84 164.24 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -67.24 127.87 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.38 128.01 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' GLU . 58.6 m -94.57 162.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.8 tt0 -34.52 -52.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -52.86 -59.05 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.4 -57.43 9.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -46.19 -65.88 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.459 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 67.4 mt -36.08 -46.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.464 ' N ' ' O ' ' A' ' 91' ' ' LEU . 74.7 mt -58.95 -42.38 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.13 -22.81 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -106.86 27.07 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -127.75 -46.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 99' ' ' SER . 8.7 p -57.49 -25.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.41 ' N ' HG11 ' A' ' 98' ' ' VAL . 1.1 t -64.49 -58.27 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -46.68 -43.57 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.66 165.76 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.6 t -169.05 133.1 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.93 107.47 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -125.6 38.85 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.5 t -166.45 158.88 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.4 p -104.88 86.05 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.7 m -47.24 130.18 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -46.35 139.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -146.46 131.9 18.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -70.1 89.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -157.51 155.98 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 116.19 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.1 t -151.12 137.25 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 138.36 72.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.34 62.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -103.41 -61.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.7 t -103.48 112.68 25.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.38 173.01 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -145.19 174.77 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.28 -159.74 11.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -142.63 176.06 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -132.84 176.73 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.16 -149.21 6.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' N ' HH21 ' A' ' 9' ' ' ARG . 2.6 tt -130.62 150.82 51.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.46 HH21 ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -108.9 176.34 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.9 169.96 9.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -121.11 -176.11 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -85.8 177.73 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.02 174.44 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 176.14 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.33 -175.94 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.38 168.88 14.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -129.47 176.08 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.32 162.84 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.16 144.46 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -171.81 134.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.82 151.32 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.26 144.19 98.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -3.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.6 -127.68 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.837 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.17 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -90.74 -40.51 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' ASP . 4.8 pt20 -65.28 -29.37 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -85.15 -24.89 27.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -80.28 -47.59 14.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.31 -43.29 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -74.19 -17.58 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -75.63 -31.79 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -62.33 -31.44 72.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.3 -20.38 65.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.21 -20.87 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -82.4 -52.51 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.0 ptm -52.27 -47.52 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.38 -43.11 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -47.74 -48.93 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -69.46 -53.9 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.436 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 30.0 mt -44.48 -36.87 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.4 mt -74.05 -35.81 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.33 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 13.1 pt20 -69.37 -34.39 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' CG1' HD11 ' A' ' 82' ' ' LEU . 35.2 m -84.71 -17.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 75.7 mt -116.41 123.62 47.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLN . 2.1 p-10 -79.63 156.68 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ASP . 27.9 tt0 -35.11 -60.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 m -41.74 -67.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.74 -56.04 11.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.1 -60.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.95 75.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.3 tmt_? -64.8 -34.52 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 tp -67.72 -58.64 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -52.96 -48.49 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -43.83 -46.21 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ALA . 12.3 tp -54.81 -48.9 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.88 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' LEU . 13.0 mt -66.86 -56.46 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.03 -64.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -141.65 114.61 6.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.5 Cg_endo -69.74 -43.66 2.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' PRO . 6.2 tt0 -34.55 -54.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -59.38 -64.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -35.73 -43.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.85 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' TYR . 60.4 t -53.92 -62.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.78 -38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -83.54 -31.09 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.475 ' N ' ' O ' ' A' ' 69' ' ' VAL . 11.6 t80 -67.5 -38.84 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 74' ' ' ILE . 38.4 mt -68.18 -59.59 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' LEU . 58.5 mt -36.87 -61.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -42.16 -54.59 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.447 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 45.0 mtm -53.98 -35.35 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.73 -57.21 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mtp-105 -43.03 -58.37 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.03 -28.69 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.01 30.93 24.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.447 ' NE2' ' HG2' ' A' ' 76' ' ' MET . 4.3 pt20 -83.71 -16.17 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 HD11 ' CG1' ' A' ' 46' ' ' VAL . 30.0 mt -66.64 138.66 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -88.75 -55.88 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -157.67 170.9 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -40.39 122.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.0 132.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.4 m -98.33 162.09 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' SER . 13.7 tt0 -34.6 -60.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -46.77 -54.54 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.63 -50.2 61.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -53.37 -64.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 91' ' ' LEU . 80.4 mt -36.75 -47.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.55 -40.48 83.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 97' ' ' LYS . 61.3 mt -57.31 -53.07 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 69' ' ' VAL . 61.9 mt -38.69 -44.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.58 -36.36 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.5 mtpm? -68.91 -60.23 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 94' ' ' ILE . 1.1 m -45.64 -21.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -50.55 -32.17 17.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -49.98 -41.15 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -115.21 171.31 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.3 t -111.98 -43.09 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -153.62 178.58 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -60.79 -58.22 9.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.1 t -113.07 151.12 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.4 p -106.57 -24.29 12.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 78.2 p -53.99 141.49 27.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -132.0 105.84 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -58.68 137.39 57.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -118.64 114.3 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.49 146.26 46.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -97.56 147.34 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.7 p -65.1 175.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.06 78.94 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.91 3.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -140.04 161.41 37.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.4 m -89.52 174.42 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -168.36 165.61 12.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -171.81 176.03 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.21 -170.36 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -173.59 166.6 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -166.05 171.72 12.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.41 178.08 43.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.81 172.39 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -135.85 156.69 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -149.27 162.19 40.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -167.32 143.37 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -165.2 116.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 tp -119.04 124.89 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.74 145.54 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -133.48 135.46 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -146.51 175.39 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -66.49 153.71 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.62 112.13 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 152.54 42.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -119.04 177.61 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.59 -28.24 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.95 156.08 0.77 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.2 32.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.99 42.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -42.07 -42.5 2.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.09 -52.02 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.2 -50.68 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -40.15 -46.55 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -45.46 -47.15 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -54.42 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.79 -63.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.25 -25.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -66.12 -49.22 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -61.42 -29.99 70.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.74 -17.77 49.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.11 -24.18 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.39 -64.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptm -46.37 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 28.2 ptt180 -67.07 -43.46 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 3.9 t-20 -50.39 -40.05 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -73.48 -35.72 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 20.5 mt -68.05 -39.21 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 mt -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.85 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.5 m -80.89 -18.71 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.15 122.92 48.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLN . 9.0 t0 -78.63 153.78 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . 35.1 tt0 -35.29 -37.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -59.71 -72.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.06 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 4.7 mmm180 -46.62 -52.7 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.79 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.466 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -50.17 -40.6 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.49 -66.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -44.74 -30.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -70.24 -43.55 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.417 HD12 ' CD1' ' A' ' 95' ' ' LEU . 2.3 tt -55.18 -29.91 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.0 -18.88 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.81 -73.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -52.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 pttt -152.62 115.14 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 11.0 pt-20 -45.43 -53.45 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' N ' ' CG ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -51.61 -44.64 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -59.54 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ALA . 40.2 mttp -45.19 -65.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -34.44 -59.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.7 t -48.76 -49.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -52.36 -52.06 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -60.32 -32.78 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -63.36 -58.24 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.62 -35.27 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.7 mt -62.34 -65.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 76' ' ' MET . 3.6 pt20 -46.01 -34.45 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 24.8 mtm -74.78 -43.66 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' ARG . . . -56.49 -62.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ALA . 32.0 mtp85 -37.95 -60.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -51.04 -39.32 55.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.02 52.17 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -103.01 -21.85 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.69 -73.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 m 61.19 30.95 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -169.65 -179.79 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -99.9 104.84 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.18 139.36 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -94.22 150.79 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -45.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -46.18 75.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.77 -50.84 60.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 54' ' ' ARG . 6.0 tp -51.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' LEU . 32.3 mt -34.75 -49.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -66.4 -51.65 54.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.71 -41.34 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.417 ' CD1' HD12 ' A' ' 58' ' ' LEU . 59.7 mt -49.74 -44.56 48.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.37 23.36 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -118.36 -45.51 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 p -60.95 -26.67 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -57.31 -51.43 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.442 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 8.8 mm-40 -63.11 -46.52 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -48.39 140.02 8.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -43.79 153.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -142.94 140.0 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.05 150.57 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.8 t -107.65 163.2 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.4 p -152.01 -176.11 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.1 t -96.8 139.23 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.81 142.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -99.78 -29.28 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -170.2 159.76 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -126.66 128.87 47.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -104.63 143.15 33.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.3 m -105.24 127.57 53.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.57 168.11 13.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.89 49.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.0 p -72.94 -49.53 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -48.93 -50.12 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -141.29 177.71 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -131.8 177.28 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.46 -59.32 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 68.07 42.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -52.88 177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.16 -163.6 12.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mp -148.26 178.94 8.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.97 173.13 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -139.45 168.7 19.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -105.69 174.98 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -149.51 178.16 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -105.35 168.58 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.66 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -77.77 148.32 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 37.6 mt -157.0 122.06 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -113.81 177.99 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.4 170.88 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -174.06 145.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -40.43 133.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.63 93.74 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.54 151.72 64.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.8 Cg_endo -69.69 1.55 4.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -33.47 -47.9 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.31 -57.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -46.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.28 -57.67 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -42.55 -57.47 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -48.29 -34.98 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.79 -41.69 36.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' HIS . . . -64.69 -61.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -40.84 -26.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' CD2' ' HG3' ' A' ' 37' ' ' GLU . 84.4 t60 -92.02 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 5.4 mmm180 -50.05 -59.31 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -46.59 -30.66 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -91.58 -20.17 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 13.2 mm-40 -77.72 -33.87 52.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.462 ' O ' ' CD1' ' A' ' 42' ' ' ILE . 10.7 ptm -79.36 -47.02 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' CD ' ' HA ' ' A' ' 36' ' ' ALA . 29.4 ptt180 -58.41 -33.67 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -84.19 -18.68 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -80.22 -55.82 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 38' ' ' MET . 4.9 mp -62.96 -27.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.3 mt -82.55 -31.3 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.43 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -83.82 -33.7 24.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.454 ' CG1' HD22 ' A' ' 82' ' ' LEU . 35.3 m -85.98 -15.82 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 98.1 mt -115.15 117.51 30.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.28 164.06 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -40.87 -34.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -64.47 -70.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.37 -52.88 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.2 mmp_? -36.84 -50.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.35 -54.53 31.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -48.66 -43.32 36.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -64.35 -61.59 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -40.36 -45.13 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -55.46 -46.61 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.6 -31.97 64.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.68 -22.5 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.47 -74.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 62' ' ' LYS . 7.6 p -44.0 -48.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.4 pttt -160.86 105.01 1.28 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' THR . 54.3 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.47 -53.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.39 -39.32 90.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' PRO . 1.7 m -61.01 -44.18 97.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -55.15 -52.58 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.54 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.1 t -58.84 -58.12 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -47.01 -39.01 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.55 -27.37 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -72.62 -42.79 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.82 -41.19 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.8 mt -58.81 -48.81 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 76' ' ' MET . 7.6 pt20 -63.96 -35.12 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.426 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 33.8 mtm -69.99 -40.03 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 42' ' ' ILE . . . -63.94 -59.19 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -47.62 -46.61 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.09 -47.58 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 42.16 1.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -96.59 -27.74 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD22 ' CG1' ' A' ' 46' ' ' VAL . 5.3 mp -73.39 150.02 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -117.66 -49.88 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -132.02 178.28 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -66.6 127.33 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.14 128.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLU . 89.8 p -99.36 164.33 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.6 tt0 -34.66 -61.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.05 -50.65 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.98 -51.86 55.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.9 tp -46.41 -65.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 83.0 mt -38.4 -45.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -37.6 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.8 mt -65.36 -37.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 52.6 mt -56.7 -21.46 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.63 -11.25 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -94.04 -34.94 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.68 -19.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -56.93 -36.76 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -53.79 -39.04 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.71 -55.07 36.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t 37.49 39.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 2.5 mp0 64.63 50.9 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -65.04 -45.55 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' THR . 57.7 p 39.32 40.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' THR . 48.6 p -35.94 139.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 47.9 p -70.87 106.52 3.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 m -140.81 170.28 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -171.82 136.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.43 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 27.8 m-85 -114.87 136.27 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -101.27 134.1 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -167.94 134.62 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.9 m -124.99 166.44 16.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.16 157.0 22.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.48 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.9 m -42.73 142.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.3 160.92 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -165.02 108.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -164.09 150.89 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -176.83 2.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -111.5 -60.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 p -168.96 170.65 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.418 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -135.33 -163.5 10.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 7' ' ' GLY . 5.6 mp -148.97 112.4 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -106.83 75.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.83 128.86 55.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -132.81 167.26 20.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -111.58 110.44 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 tp -146.45 152.45 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -164.99 175.64 9.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 4.11 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' H ' ' CD2' ' A' ' 16' ' ' LEU . 3.7 mm? -41.48 115.37 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -139.94 127.34 21.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.39 160.78 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -99.38 135.11 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -73.28 -56.38 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.7 50.63 29.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.16 154.26 67.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -14.56 36.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.02 -54.19 3.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' OE1' ' A' ' 29' ' ' GLN . 1.4 p30 -43.0 -49.79 5.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.96 -38.41 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.52 96.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -64.5 -48.15 76.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' OE1' ' C ' ' A' ' 25' ' ' ASP . 7.1 mp0 -61.39 -51.38 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -40.27 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.33 -69.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 -30.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -57.74 -50.07 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.9 mmm-85 -52.72 -43.89 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -46.75 -35.41 6.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.25 -25.14 46.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.7 mt-10 -77.17 -54.5 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.8 ptm -57.14 -52.12 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' CG ' ' N ' ' A' ' 40' ' ' ASN . 17.8 ptt180 -55.56 -43.25 75.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 31.7 m-20 -49.91 -54.86 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 m -61.25 -30.94 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 36.8 mt -72.51 -37.17 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.03 -27.86 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -82.89 -38.31 23.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.7 m -80.36 -16.66 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 91' ' ' LEU . 21.5 mt -120.6 124.34 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.62 166.01 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -49.07 -40.91 33.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -59.85 -66.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.7 -51.76 36.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -37.16 -55.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.07 -51.84 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -50.46 -47.49 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' HB3' ' NH2' ' A' ' 52' ' ' ARG . 18.5 tp -60.05 -58.5 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 t -51.09 -37.17 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -58.06 -35.66 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.2 tp -74.54 -24.49 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.18 59.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.46 -69.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 2.5 m -45.42 -57.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -149.0 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -33.76 15.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -43.12 -72.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -42.96 -45.18 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.31 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -54.65 -63.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.5 -61.45 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.4 t -41.18 -53.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -47.19 -52.36 15.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -61.77 -22.03 65.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 10.7 t80 -80.73 -53.67 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.24 -13.6 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.5 mt -85.67 -55.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 6.9 pt20 -46.92 -42.76 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.45 -40.51 96.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.41 -49.65 76.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -56.13 -47.35 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 12.3 m-85 -57.8 -38.68 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 29.57 8.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -88.83 -30.91 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.19 115.22 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -76.97 -50.44 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.96 172.29 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -46.81 128.19 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 124.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -81.9 158.5 23.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -39.29 -55.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -51.03 -57.4 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.35 -48.56 40.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' A' ' 47' ' ' LEU . 6.1 tp -55.38 -56.72 16.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.0 mt -43.8 -42.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -62.94 -55.28 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.9 -47.74 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.7 mt -43.73 -37.21 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 37.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -133.15 -38.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 99' ' ' SER . 5.2 p -62.21 -34.26 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.458 ' N ' HG12 ' A' ' 98' ' ' VAL . 2.0 m -93.18 -43.95 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -45.44 -41.88 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.02 123.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -53.33 129.24 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -124.19 43.45 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -39.37 -34.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 t -161.57 124.23 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.0 p -62.16 158.91 15.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.5 t -54.78 -44.09 73.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.4 m -145.54 140.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -94.64 -52.57 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -115.0 121.25 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -81.38 87.81 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.9 142.08 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -141.36 147.51 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.58 84.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.436 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.46 4.54 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.8 p -159.25 178.22 10.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 t -80.1 150.33 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -155.43 151.16 27.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -62.78 97.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.88 110.15 1.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -93.98 136.81 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -159.72 164.4 33.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.35 173.83 30.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -133.87 66.71 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 54.68 34.71 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -153.18 139.61 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 12' ' ' ARG . 51.2 mm-40 -109.92 166.11 11.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.577 ' H ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -114.56 174.5 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.03 165.23 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.79 153.6 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.09 159.52 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 mt -118.54 94.86 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' HG2' ' N ' ' A' ' 18' ' ' ALA . 3.6 pm0 -59.31 -35.97 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -172.02 149.25 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -91.44 94.75 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.66 49.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 51.44 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.54 161.27 23.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 24' ' ' GLY . 54.0 Cg_endo -69.72 1.46 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -35.12 -49.18 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -37.94 -52.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.875 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.28 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -80.48 -50.32 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 28' ' ' GLN . 3.6 tm0? -41.68 -55.11 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -49.84 -34.74 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.8 -44.29 41.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.35 -58.75 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 27.2 pttt -47.37 -32.71 5.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 24.4 t-80 -61.74 -52.43 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 37' ' ' GLU . 7.5 mmt180 -45.12 -49.57 11.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 59.8 tt0 -39.59 -35.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.15 -35.61 28.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 -63.51 -51.81 63.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.8 ptm -54.92 -46.39 74.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASN . 24.9 mtp180 -63.41 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ARG . 91.9 m-20 -34.43 -60.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -49.57 -62.03 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.7 mt -45.22 -38.78 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.32 -25.29 54.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -82.56 -32.13 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.4 m -86.41 -30.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.6 mt -93.49 160.32 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -117.22 162.81 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -40.82 -37.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 m -62.51 -63.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.93 -50.7 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.36 -56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.31 -64.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -45.81 -55.57 6.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 tp -49.87 -52.03 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.2 m -52.64 -59.91 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -54.04 -40.31 66.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tt -59.35 -24.64 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.67 -26.02 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.22 -55.92 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.464 HG13 ' CG ' ' A' ' 62' ' ' LYS . 3.3 p -65.01 -54.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.464 ' CG ' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -135.03 87.64 28.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -50.25 -26.86 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -80.05 -53.75 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -58.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 33.6 mttp -42.72 -66.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 98' ' ' VAL . . . -36.41 -51.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 ' N ' HG23 ' A' ' 98' ' ' VAL . 96.3 t -54.57 -50.78 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.6 -52.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -57.61 -42.12 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -55.37 -39.67 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.1 mt -69.74 -54.44 13.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.5 mt -42.02 -57.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -46.9 -52.1 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.1 mtm -56.08 -39.01 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.24 -63.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -46.17 -47.31 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -55.48 -40.44 71.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.1 50.38 2.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -110.05 -40.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.38 92.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -62.42 -48.56 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.98 164.32 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -56.69 119.29 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.21 129.2 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.3 t -97.58 164.38 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.4 tt0 -34.39 -56.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.56 -58.26 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.46 -50.32 48.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -51.28 -61.58 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.413 HG22 ' NZ ' ' A' ' 96' ' ' LYS . 38.6 mt -39.19 -41.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.85 -58.33 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.9 mt -48.0 -38.98 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.7 mt -51.16 -33.67 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.466 ' CB ' ' HE3' ' A' ' 97' ' ' LYS . 2.9 mppt? -79.13 -19.38 51.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.466 ' HE3' ' CB ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 -52.65 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.459 ' CG2' ' HB1' ' A' ' 68' ' ' ALA . 0.9 OUTLIER -50.3 -37.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t -40.62 -44.38 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -44.99 -46.42 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 50.41 39.51 20.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.6 t -151.87 123.88 8.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 104' ' ' LYS . 14.2 tt0 -141.18 173.1 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' THR . 69.6 mttt -35.12 128.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' LYS . 9.6 t -34.19 143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -151.33 123.92 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' VAL . 6.8 t -65.72 147.36 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' THR . 99.8 t -36.59 -62.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -73.99 178.63 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -115.73 -45.22 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -174.12 156.42 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -101.44 108.19 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.2 t -174.3 118.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -152.59 67.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.62 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.0 p 40.75 41.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.9 t -123.74 145.57 48.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -169.34 156.38 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -164.46 177.36 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.95 -134.29 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 p -172.46 151.11 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -107.91 174.6 5.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.84 -150.72 27.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 tp -161.5 144.88 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -72.7 138.3 46.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -127.16 167.99 15.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -154.34 124.93 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -147.89 123.43 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.2 mt -154.27 151.6 29.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.26 151.89 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -49.73 145.36 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -114.96 145.4 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -130.4 117.61 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.74 174.1 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -89.93 168.82 11.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.93 -43.99 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.64 125.23 6.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.6 152.49 5.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 2.23 3.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.06 -44.53 2.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -40.75 -57.03 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.1 -42.04 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.48 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -44.94 -52.36 8.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -63.8 -33.36 75.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.38 -40.34 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -60.18 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 9.2 ptmm? -53.95 -43.47 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 6.8 t-80 -49.18 -57.69 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLU . 17.4 mmm180 -48.41 -48.03 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -43.35 -35.48 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.42 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 5.7 mm-40 -72.94 -39.73 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.474 ' CB ' HD11 ' A' ' 42' ' ' ILE . 1.5 mtm -68.48 -51.48 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -55.03 -39.35 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -59.29 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -65.3 -56.01 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.474 HD11 ' CB ' ' A' ' 38' ' ' MET . 19.6 mt -44.28 -28.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.4 mt -83.16 -36.14 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -30.56 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -76.43 -36.52 57.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 82' ' ' LEU . 27.5 m -83.32 -15.78 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.2 mt -113.43 113.06 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 t0 -67.75 150.88 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ASP . 22.4 tt0 -37.0 -37.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -63.97 -68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.27 -43.51 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -41.35 -57.73 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -46.54 -69.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 8.9 tpt180 -36.61 -64.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ARG . 15.8 tp -37.61 -40.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -69.05 -43.65 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -56.04 -42.42 76.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 95' ' ' LEU . 12.4 tp -62.62 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -94.26 -60.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.9 p -61.75 -40.34 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -166.12 105.0 0.7 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.8 Cg_endo -69.79 -37.38 9.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' PRO . 28.9 tt0 -37.61 -65.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -50.0 -53.41 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -43.73 -54.53 5.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -49.47 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.47 -57.69 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.6 t -51.35 -45.85 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -60.2 -52.23 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -64.81 -25.97 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -66.58 -39.67 88.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.2 mt -71.77 -51.03 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.1 mt -40.76 -60.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -48.6 -55.35 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.4 mtm -53.77 -39.02 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.4 -51.35 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -47.69 -53.6 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -63.26 -28.13 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.98 37.5 7.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -84.46 -37.69 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.45 ' CD2' ' HB ' ' A' ' 46' ' ' VAL . 4.9 mp -53.92 116.11 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 m -67.57 -49.11 64.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.31 163.62 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -38.01 137.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 87' ' ' SER . 96.9 t -85.27 135.76 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.435 ' N ' HG12 ' A' ' 86' ' ' VAL . 90.7 p -102.41 160.35 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 87' ' ' SER . 31.2 tt0 -36.55 -45.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -56.29 -68.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.04 -57.22 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.4 tp -40.09 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.6 mt -39.96 -44.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.44 -33.59 75.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 91' ' ' LEU . 53.4 mt -62.11 -50.4 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 58' ' ' LEU . 5.4 mp -49.71 -35.8 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.66 20.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -129.15 -42.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 3.0 p -60.52 -26.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.0 t -91.91 -57.32 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -53.03 -51.85 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 49.28 32.22 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -165.07 178.97 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -127.78 35.3 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -89.92 -49.14 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.3 t -129.97 146.95 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -85.66 -55.0 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.0 t -165.08 141.19 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -142.47 117.12 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -137.38 138.25 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -120.59 124.28 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.89 165.75 11.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -157.39 119.7 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.5 m -137.77 158.78 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.89 72.82 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -35.8 11.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.275 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 m -45.6 110.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 m -120.94 -62.46 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.3 ptm -64.75 -47.61 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.5 ptm180 -55.37 -45.99 76.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -51.28 -57.99 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -56.64 -25.93 54.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.6 mt -78.77 -35.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' A' ' 70' ' ' GLU . 51.7 mt -80.88 -32.28 34.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.54 -22.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 20.7 pt20 -88.37 -33.82 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.742 HG23 ' HG ' ' A' ' 47' ' ' LEU . 27.6 m -88.13 -18.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.05 HD21 HD13 ' A' ' 73' ' ' LEU . 11.9 mt -115.99 114.56 24.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -66.07 156.5 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -42.89 -31.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -69.63 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.52 -35.52 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -57.08 -57.63 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -54.18 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 66' ' ' THR . 7.3 tp -55.32 -71.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' LEU . 42.8 t -37.28 -52.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -45.93 -42.45 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.576 HD23 ' OG1' ' A' ' 66' ' ' THR . 5.6 tp -73.06 -46.85 49.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.63 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LEU . 72.4 mt -68.93 -64.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.08 -40.2 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -126.87 82.36 67.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.16 2.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.37 -50.68 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HZ1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.38 -66.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.634 HG23 ' CD1' ' A' ' 55' ' ' LEU . 89.4 m -48.29 -42.54 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -46.48 -58.2 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 67' ' ' LYS . . . -51.0 -39.62 56.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG21 HD23 ' A' ' 95' ' ' LEU . 37.8 t -61.39 -41.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.429 ' CD ' HD13 ' A' ' 43' ' ' LEU . 4.9 mm-40 -53.0 -47.88 67.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.33 -38.47 91.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.12 -51.6 67.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.05 HD13 HD21 ' A' ' 47' ' ' LEU . 43.5 mt -57.76 -42.58 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.1 -57.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' MET . 12.4 pt20 -57.05 -37.15 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 22.3 mtm -61.08 -37.95 84.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.53 -62.22 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -46.71 -55.48 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -51.42 -64.4 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 35.2 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -91.69 -40.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.76 108.29 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -72.4 -67.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -126.33 171.8 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -45.55 121.37 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.33 150.19 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.3 m -114.44 162.84 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.3 tt0 -35.4 -65.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -39.9 -58.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.28 -61.88 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 47' ' ' LEU . 5.3 tp -44.23 -61.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.54 -44.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.97 -36.35 83.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.7 mm -56.57 -45.83 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.977 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -46.42 -40.42 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -92.23 29.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.81 -46.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 69' ' ' VAL . 4.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 ptm -71.26 -51.9 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.0 ptm180 -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -54.5 -56.87 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -54.1 -52.12 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 39' ' ' ARG . 16.3 mt -51.47 -58.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.03 -56.89 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.81 -36.1 57.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.02 -39.33 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.582 ' HB ' HD13 ' A' ' 82' ' ' LEU . 26.6 m -92.25 12.9 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 91' ' ' LEU . 66.8 mt -128.51 106.64 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.33 156.95 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -44.12 -42.27 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -57.9 -62.86 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -50.94 -51.73 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 17.2 mmm180 -36.06 -60.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.24 -51.49 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt-85 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' A' ' 70' ' ' GLU . 13.6 tp -41.01 -58.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 19.8 t -53.61 -54.43 37.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.66 -49.9 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.476 HD23 ' OG1' ' A' ' 66' ' ' THR . 3.6 tp -54.0 -46.59 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -36.17 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' LEU . 33.8 mt -69.8 -53.61 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.57 -64.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.82 97.69 13.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -28.59 24.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -69.62 -42.92 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -64.72 -45.01 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.476 ' OG1' HD23 ' A' ' 58' ' ' LEU . 10.3 m -59.0 -42.1 89.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -53.59 -53.54 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.76 -51.45 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.01 HG21 HD23 ' A' ' 95' ' ' LEU . 56.8 t -52.49 -47.2 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' A' ' 55' ' ' LEU . 6.3 mm-40 -49.47 -37.06 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 74' ' ' ILE . 36.6 t30 -78.01 -33.59 51.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.06 -47.79 76.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.32 -52.23 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 71' ' ' ASN . 34.5 mt -42.76 -63.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -42.47 -53.27 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.62 ' CE ' HD21 ' A' ' 82' ' ' LEU . 31.5 mtm -57.02 -40.26 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.71 -60.89 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -47.15 -51.04 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.31 -64.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.03 45.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -97.57 -51.69 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD21 ' CE ' ' A' ' 76' ' ' MET . 26.6 mt -53.21 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.6 p -49.06 -44.69 42.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -152.64 169.98 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -39.31 137.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 82' ' ' LEU . 99.1 t -80.09 126.01 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.9 t -90.69 154.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.5 tt0 -34.82 -52.56 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -49.06 -55.53 11.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.15 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 47' ' ' LEU . 5.1 tp -48.7 -65.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' LEU . 97.4 mt -34.14 -52.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.03 -51.51 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.9 mt -44.66 -46.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.01 HD23 HG21 ' A' ' 69' ' ' VAL . 48.3 mt -52.12 -34.85 46.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 22.22 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.9 -50.48 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 69' ' ' VAL . 7.7 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.5 ptm -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HG2' HD13 ' A' ' 74' ' ' ILE . 44.1 mtt180 -57.63 -44.49 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.25 -51.76 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.9 m -56.81 -41.96 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 46' ' ' VAL . 32.1 mt -67.74 -26.92 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 70' ' ' GLU . 23.0 mt -78.8 -39.64 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.26 -32.53 74.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 42' ' ' ILE . 35.0 m -90.18 -14.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 91' ' ' LEU . 73.2 mt -115.79 123.84 49.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLN . 15.7 t70 -78.49 150.6 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ASP . 44.3 tt0 -34.51 -45.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -60.19 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.21 -58.28 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -34.85 -62.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.65 -58.06 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -48.84 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.42 -62.57 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.3 t -45.11 -47.94 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.95 -48.2 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.558 HD22 HD22 ' A' ' 95' ' ' LEU . 4.3 tp -61.25 -26.95 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -47.79 -29.38 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -73.9 -68.8 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 62' ' ' LYS . 4.2 m -54.68 -50.45 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 61' ' ' VAL . 22.1 mttt -127.78 82.75 67.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -19.65 36.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.79 -45.51 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HE2' HG13 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -62.25 -44.57 96.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -54.36 -43.02 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -54.0 -56.05 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.43 -55.34 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.08 HG21 HD23 ' A' ' 95' ' ' LEU . 65.6 t -46.15 -56.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.556 ' HB3' HD11 ' A' ' 43' ' ' LEU . 62.3 mt-10 -46.23 -45.56 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.04 -29.65 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -72.81 -46.93 50.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 94' ' ' ILE . 96.7 mt -62.02 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.46 HD13 ' HG2' ' A' ' 39' ' ' ARG . 23.0 mt -56.11 -56.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' MET . 4.6 pt20 -55.86 -35.02 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 23.0 mtm -67.6 -37.77 83.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.68 -49.91 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.75 -52.48 65.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -54.65 -54.08 46.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.84 0.85 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.27 -45.75 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.95 126.84 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -95.09 -46.86 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.42 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -59.0 111.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.1 137.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLU . 21.9 p -103.83 164.61 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -34.78 -64.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -63.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.34 -49.54 19.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 47' ' ' LEU . 6.4 tp -57.23 -66.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 50.3 mt -36.69 -35.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.86 -45.47 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 66.9 mt -55.6 -43.63 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.08 HD23 HG21 ' A' ' 69' ' ' VAL . 21.4 mt -54.21 -27.59 35.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.7 22.67 9.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -123.8 -50.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.665 HG13 ' HE2' ' A' ' 65' ' ' LYS . 11.6 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' ILE . 14.8 ptm -64.31 -37.59 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.38 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -59.48 -48.3 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -63.35 -63.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.8 mt -43.91 -38.99 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.7 -44.89 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.45 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 85' ' ' LYS . 25.7 mt-30 -77.58 -24.79 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 42' ' ' ILE . 22.1 m -96.9 -15.89 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.02 156.89 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -112.07 162.11 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -42.09 -35.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -62.03 -71.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.9 -48.83 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -37.83 -50.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.01 -63.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -46.56 -49.09 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.13 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 2.7 t -45.95 -47.41 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.9 t30 -51.13 -46.4 61.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.7 tp -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -64.05 -9.55 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 57' ' ' ASN . 9.1 mt -97.92 -69.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.23 -37.04 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 19.9 pttt -169.28 105.0 0.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.5 Cg_endo -69.75 -38.02 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' PRO . 22.1 tt0 -37.77 -69.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.11 -47.5 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -49.88 -48.84 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -50.2 -60.5 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.64 -54.32 7.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 95' ' ' LEU . 57.4 t -53.99 -61.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -40.26 -40.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.523 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.6 t-20 -72.04 -43.16 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -49.43 -53.34 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.5 HD21 HD13 ' A' ' 94' ' ' ILE . 35.4 mt -58.08 -51.48 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 71' ' ' ASN . 88.1 mt -43.98 -60.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 43.0 mt-30 -49.26 -50.06 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.493 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.4 mtm -54.78 -32.32 59.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ILE . . . -63.23 -68.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 2.8 m-85 -64.78 -39.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.54 33.34 5.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -92.65 -21.34 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD21 ' CE ' ' A' ' 76' ' ' MET . 9.3 mt -88.79 133.01 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.7 m -111.1 -42.76 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -123.29 168.88 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 45' ' ' GLN . 36.0 mttm -71.79 114.43 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.89 125.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' GLU . 60.6 p -99.2 171.12 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' SER . 9.6 tt0 -36.25 -59.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -45.55 -65.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.01 -54.8 9.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -49.89 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 58.1 mt -35.43 -37.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -43.96 38.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.5 HD13 HD21 ' A' ' 73' ' ' LEU . 65.6 mt -51.5 -42.2 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 69' ' ' VAL . 37.3 mt -56.81 -33.96 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -72.23 -3.83 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -102.02 -53.21 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 69' ' ' VAL . 1.9 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 5.7 ptp -67.57 -36.44 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 38' ' ' MET . 94.4 mtt180 -68.05 -39.69 82.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -57.92 -46.83 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -65.81 -49.42 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 15.5 mt -58.35 -32.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 70' ' ' GLU . 20.3 mt -75.72 -32.75 60.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.29 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -70.72 -35.68 72.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 77' ' ' ALA . 35.6 m -80.86 -21.08 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 55' ' ' LEU . 21.7 mt -117.18 117.66 30.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 49' ' ' GLN . 13.3 t70 -70.39 167.59 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 1.9 tt0 -48.97 -43.29 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 m -55.2 -52.32 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -65.2 -48.4 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -41.48 -46.66 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -63.11 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -49.07 -56.35 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 47' ' ' LEU . 35.4 tp -41.9 -38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -69.94 -42.33 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -51.94 -41.37 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.14 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.16 -11.48 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -93.94 -63.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 p -55.34 -38.89 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 4.0 pttm -171.91 104.97 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.9 Cg_endo -69.75 -43.04 2.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.6 tt0 -34.66 -54.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.56 -49.95 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 67' ' ' LYS . 7.9 m -52.05 -54.66 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' THR . 24.8 mtpt -36.72 -62.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.05 -66.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 95' ' ' LEU . 61.0 t -41.01 -60.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.2 mt-10 -39.67 -49.33 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 74' ' ' ILE . 16.7 m-80 -71.94 -35.45 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.74 ' HE2' HG23 ' A' ' 94' ' ' ILE . 5.3 t80 -57.86 -38.09 75.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 94' ' ' ILE . 64.6 mt -72.09 -47.44 51.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 71' ' ' ASN . 44.6 mt -49.63 -48.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.59 -38.63 85.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.9 mtm -72.63 -31.92 65.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -39.54 -62.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -53.0 -50.7 63.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.24 37.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.37 -45.03 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.01 104.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.4 p -45.91 -65.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -150.3 172.98 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -39.43 121.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.7 t -78.88 122.47 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 53.2 p -89.39 168.8 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.0 tt0 -36.51 -61.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.11 -49.57 63.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.92 -31.97 69.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.6 tp -67.48 -64.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -37.48 -37.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.5 -43.65 98.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 73' ' ' LEU . 27.5 mt -54.97 -48.71 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 69' ' ' VAL . 21.5 mt -54.07 -34.53 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HE2' ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -69.21 -18.69 63.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -95.37 -45.49 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.486 ' CG2' ' CD2' ' A' ' 72' ' ' TYR . 42.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.614 ' O ' HD12 ' A' ' 42' ' ' ILE . 9.6 ptp -67.56 -35.41 78.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 38' ' ' MET . 2.2 ptm85 -73.48 -32.08 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -85.6 -27.17 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m -82.81 -43.09 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 38' ' ' MET . 22.8 mt -66.75 -30.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' VAL . 74.5 mt -81.25 -29.94 34.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -26.97 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.13 -36.12 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.59 HG23 ' HG ' ' A' ' 47' ' ' LEU . 34.4 m -81.36 -20.37 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.59 ' HG ' HG23 ' A' ' 46' ' ' VAL . 52.3 mt -109.36 123.37 49.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 175.17 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -59.51 -50.76 72.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.3 m -49.79 -56.2 11.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -58.97 -51.87 68.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.7 mmm-85 -35.71 -53.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.58 86.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -59.74 -52.25 66.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.31 -49.16 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -56.63 -49.28 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.71 -30.83 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 65' ' ' LYS . 14.6 tp -76.12 -27.52 57.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.0 -6.77 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.05 -65.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.81 -38.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 pttm -170.68 104.97 0.41 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.0 Cg_endo -69.76 -46.19 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.0 pt-20 -35.27 -43.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 4.1 tppp? -67.86 -50.65 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -59.3 -32.73 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -55.9 -47.61 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.32 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.021 HG21 HD23 ' A' ' 95' ' ' LEU . 30.1 t -51.18 -64.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.7 mt-10 -34.8 -39.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.81 -41.32 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' VAL . 51.2 t80 -57.8 -43.17 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . 23.7 mt -62.71 -59.99 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' LEU . 63.2 mt -36.9 -51.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.4 -47.28 76.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 mtm -61.63 -30.63 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.83 -57.11 4.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -43.56 -48.62 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.36 -16.78 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 69.95 27.92 72.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.61 -14.65 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.44 122.49 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 t -60.87 -58.12 9.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.08 171.53 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -40.42 117.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.18 126.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLU . 96.8 p -101.27 169.85 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.11 -62.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -42.26 -65.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.07 -57.61 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -45.2 -64.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 96' ' ' LYS . 35.0 mt -40.55 -40.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -69.25 -34.22 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.692 ' O ' HG12 ' A' ' 98' ' ' VAL . 46.2 mt -67.47 -36.39 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 69' ' ' VAL . 17.2 mt -67.8 -11.94 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 92' ' ' ILE . 46.7 mttt -103.82 -14.67 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -101.06 -34.05 9.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.961 HG11 HG22 ' A' ' 69' ' ' VAL . 14.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.576 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.1 ptp -86.52 -36.8 18.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.2 OUTLIER -72.92 -25.31 61.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -82.46 -26.8 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 m -87.84 -37.44 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 38' ' ' MET . 20.0 mt -72.71 -29.19 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 70' ' ' GLU . 32.9 mt -79.33 -31.66 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.99 -35.8 64.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.28 -35.82 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 77' ' ' ALA . 31.6 m -82.64 -15.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -115.37 119.73 37.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.39 164.91 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -46.38 -56.62 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.2 m -45.32 -50.26 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -63.1 -52.08 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 5.9 mmm180 -37.84 -51.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.94 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -61.13 -52.91 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.12 -53.8 19.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -51.36 -36.33 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 65' ' ' LYS . 9.9 tp -74.19 -26.41 60.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -3.18 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.53 -68.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.4 p -51.4 -34.44 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG2' HG22 ' A' ' 61' ' ' VAL . 3.7 pttm -169.77 104.96 0.45 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -41.27 4.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.62 -61.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HG2' HD21 ' A' ' 58' ' ' LEU . 1.1 ttmp? -52.81 -38.09 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -70.58 -31.54 68.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.41 -49.03 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.065 HG21 HD23 ' A' ' 95' ' ' LEU . 83.1 t -42.77 -56.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 43' ' ' LEU . 14.9 mt-10 -46.23 -52.24 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -71.17 -19.87 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.505 ' HE2' HG23 ' A' ' 94' ' ' ILE . 16.7 t80 -77.59 -35.53 52.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 47' ' ' LEU . 28.3 mt -73.4 -47.88 38.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -47.5 -55.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.18 -49.08 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.1 mtm -62.09 -36.94 83.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -65.51 -49.51 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -53.45 -54.72 32.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -55.13 -54.19 46.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.33 30.71 1.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.8 -51.79 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 77' ' ' ALA . 9.1 mt -48.62 110.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -70.67 -68.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -117.38 -177.37 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -68.48 120.83 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.32 117.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' GLU . 64.5 p -90.95 172.27 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.04 -62.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.56 -50.7 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.63 -51.35 59.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.7 tp -52.51 -55.39 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.6 mt -47.15 -38.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -65.57 -40.15 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 72' ' ' TYR . 38.3 mt -62.07 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.065 HD23 HG21 ' A' ' 69' ' ' VAL . 15.5 mt -63.92 -16.85 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -89.62 -28.08 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -34.84 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 ptm -74.89 -52.58 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.5 -32.08 73.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -61.57 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.3 m -74.52 -45.38 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.3 -21.75 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 74' ' ' ILE . 13.9 mt -80.46 -38.79 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.84 -41.17 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' VAL . 12.9 pt20 -63.32 -35.98 82.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.9 m -87.21 -17.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 46' ' ' VAL . 82.0 mt -107.99 170.01 8.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 11.9 t0 -128.24 158.66 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp60 -38.05 -43.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -56.3 -71.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -47.47 -53.23 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ALA . 48.8 mmm-85 -35.51 -43.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 -60.7 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -53.6 -55.97 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.58 -54.2 24.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 m -57.26 -39.67 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.43 -32.44 70.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.7 -26.51 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -5.8 12.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -98.94 -65.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG13 ' HG2' ' A' ' 62' ' ' LYS . 14.9 p -56.58 -29.19 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.752 ' HG2' HG13 ' A' ' 61' ' ' VAL . 10.5 pttt -173.48 105.05 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.2 Cg_endo -69.81 -33.67 15.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -48.48 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -46.25 -40.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -66.51 -36.27 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -54.01 -48.84 70.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.92 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 95' ' ' LEU . 86.6 t -43.98 -57.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 74' ' ' ILE . 39.5 mt-10 -47.25 -56.3 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -58.71 -34.0 70.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.473 ' CE2' ' SD ' ' A' ' 76' ' ' MET . 81.6 t80 -64.6 -31.23 72.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ILE . 26.6 mt -76.27 -61.04 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.8 mp -36.15 -51.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -57.37 -47.65 81.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.473 ' SD ' ' CE2' ' A' ' 72' ' ' TYR . 19.7 mtp -57.23 -31.84 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.751 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.89 -52.73 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -49.66 -55.47 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -51.32 -48.1 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.51 39.06 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -94.57 -39.98 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' CE ' ' A' ' 76' ' ' MET . 8.8 mt -67.07 144.99 55.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.7 m -114.29 -60.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -109.64 171.3 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -68.95 115.26 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.81 124.73 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -97.28 179.06 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -37.06 -53.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' GLY . 41.1 mt-30 -56.22 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLN . . . -36.7 -42.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -61.22 -74.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 91' ' ' LEU . 21.3 mt -32.25 -41.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.0 -48.39 78.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.7 mt -64.79 -33.75 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -57.15 -30.43 64.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -85.62 -0.07 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -101.68 -60.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.457 HG11 HG22 ' A' ' 69' ' ' VAL . 2.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.7 ptp -64.78 -40.54 95.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 38' ' ' MET . 92.9 mtt180 -65.41 -41.5 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -64.84 -32.92 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -81.54 -40.18 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 46' ' ' VAL . 52.3 mt -61.45 -36.43 73.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HA ' HG22 ' A' ' 46' ' ' VAL . 23.1 mt -73.77 -27.68 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.99 -30.67 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.39 -39.18 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.687 HG23 ' HG ' ' A' ' 47' ' ' LEU . 32.9 m -80.67 -11.81 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 73' ' ' LEU . 31.8 mt -125.32 112.21 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.03 175.17 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 49' ' ' GLN . 8.5 tm0? -51.11 -45.76 61.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -51.6 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.0 -49.82 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.6 mmm180 -36.21 -46.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -54.08 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -53.68 -33.54 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.78 -63.2 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.8 t -50.74 -28.19 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.51 -50.23 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.92 -39.34 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.99 -25.11 4.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.83 -70.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -48.53 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -147.98 104.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.87 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -51.44 2.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -50.85 -63.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' THR . 49.3 mttp -34.12 -57.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.41 -54.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.98 HG21 HD23 ' A' ' 95' ' ' LEU . 95.2 t -48.44 -54.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -42.37 -59.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' A' ' 74' ' ' ILE . 63.8 t30 -53.75 -33.34 55.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.55 -54.56 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 47' ' ' LEU . 30.1 mt -57.47 -12.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 71' ' ' ASN . 42.1 mt -86.4 -48.27 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -52.6 -44.52 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.833 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -60.29 -43.9 95.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -56.72 -61.39 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -48.39 -45.64 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.37 43.02 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -101.59 -35.32 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' SD ' ' A' ' 76' ' ' MET . 13.1 mt -59.09 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.7 m 52.74 26.48 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.96 172.47 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -89.25 121.48 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 142.9 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 86.8 p -113.74 163.35 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.8 tt0 -34.65 -57.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -48.71 -55.13 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -56.65 20.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -47.55 -62.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.4 -47.39 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -37.26 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 73' ' ' LEU . 78.3 mt -69.36 -40.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.98 HD23 HG21 ' A' ' 69' ' ' VAL . 77.9 mt -55.52 -20.44 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -103.6 21.45 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -125.58 -51.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.642 HG11 HG22 ' A' ' 69' ' ' VAL . 2.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 ptm -47.46 -45.52 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.489 HH11 HD11 ' A' ' 43' ' ' LEU . 22.7 ptt85 -63.14 -52.21 63.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.483 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 62.4 m-20 -38.85 -48.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -70.93 -57.11 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 41.7 mt -49.27 -25.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.489 HD11 HH11 ' A' ' 39' ' ' ARG . 42.7 mt -77.09 -45.33 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -11.6 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -96.09 -28.31 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 42' ' ' ILE . 6.9 m -97.82 -13.74 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD23 ' HB ' ' A' ' 86' ' ' VAL . 36.4 mt -116.35 149.85 38.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.7 t70 -97.84 146.2 25.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ASP . 10.9 tm0? -36.32 -33.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' ASP . 14.9 m -67.39 -61.21 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.77 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 5.6 mmm180 -42.93 -59.38 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.84 -60.61 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 91' ' ' LEU . 12.7 tpt180 -44.57 -45.41 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' SER . 6.9 tp -67.23 -70.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 t -36.48 -42.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -46.26 -52.79 11.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.08 -32.86 70.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -50.01 -35.83 26.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.46 -72.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 62' ' ' LYS . 3.0 m -44.81 -60.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.7 ' H ' HG23 ' A' ' 61' ' ' VAL . 7.0 pttt -142.46 110.48 5.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -43.62 2.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.9 mm-40 -38.92 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -34.42 -69.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -44.47 -49.6 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' THR . 6.3 ttmt -37.55 -43.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.28 -59.23 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.051 HG21 HD23 ' A' ' 95' ' ' LEU . 20.3 t -47.39 -54.55 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 74' ' ' ILE . 66.9 mt-10 -46.51 -55.7 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -59.39 -41.56 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 94' ' ' ILE . 55.7 t80 -52.91 -30.95 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 47' ' ' LEU . 32.2 mt -73.96 -57.9 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.6 mp -38.56 -56.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -49.85 -49.16 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.71 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.0 mtm -57.29 -33.01 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.47 -58.42 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -42.08 -59.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -47.88 -50.99 24.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.44 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.07 -46.35 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.71 HD21 ' CE ' ' A' ' 76' ' ' MET . 13.9 mt -51.34 127.35 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -95.1 -54.25 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -124.36 173.6 8.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -67.58 120.87 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.467 ' HB ' HD23 ' A' ' 47' ' ' LEU . 79.3 t -51.05 136.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 59.6 p -102.36 160.33 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 15.2 tt0 -35.2 -59.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.75 -57.69 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.66 -54.84 23.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 54' ' ' ARG . 5.7 tp -50.91 -62.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -38.28 -35.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -76.63 -39.29 52.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 72' ' ' TYR . 58.7 mt -69.74 -21.91 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.051 HD23 HG21 ' A' ' 69' ' ' VAL . 11.0 mt -70.89 -32.16 69.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.75 21.67 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -118.6 -44.04 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.674 HG11 HG22 ' A' ' 69' ' ' VAL . 4.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 24.5 ptm -88.35 -51.93 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.714 ' CB ' HD11 ' A' ' 74' ' ' ILE . 12.8 ptm180 -63.92 -47.1 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -46.9 -38.06 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -80.34 -44.07 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 18.0 mt -67.02 -19.44 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -87.45 -25.85 23.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.22 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HG3' HG13 ' A' ' 46' ' ' VAL . 13.8 pt20 -98.09 -33.66 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 47' ' ' LEU . 26.8 m -86.97 -28.79 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 46' ' ' VAL . 83.1 mt -102.76 147.8 26.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 6.7 t70 -99.45 157.9 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 8.2 tp60 -37.18 -35.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.4 m -63.17 -71.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.89 -30.19 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -58.49 -47.28 84.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.92 -59.55 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -53.74 -49.39 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.631 HD11 ' OE1' ' A' ' 70' ' ' GLU . 18.8 tp -50.36 -39.78 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -70.16 -45.23 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -55.18 -42.33 73.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 14.9 tp -53.8 -44.73 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.45 -22.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -81.65 -61.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.47 HG13 ' HG2' ' A' ' 62' ' ' LYS . 1.3 p -56.21 -40.04 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' HG13 ' A' ' 61' ' ' VAL . 13.6 pttt -166.36 106.55 0.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -20.88 34.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.25 -66.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmpt? -45.53 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' OE2' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.39 -61.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -43.33 -66.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.9 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.912 HG21 ' CD2' ' A' ' 95' ' ' LEU . 38.5 t -53.36 -59.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.631 ' OE1' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -43.56 -57.16 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -58.68 -40.45 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 14.5 t80 -58.33 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 94' ' ' ILE . 73.6 mt -63.12 -56.56 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 39' ' ' ARG . 52.2 mt -40.0 -57.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -50.44 -41.15 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.8 mtm -68.81 -32.48 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -69.62 -59.35 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -43.07 -58.12 2.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -55.18 -49.59 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.69 32.46 2.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.541 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -82.01 -43.91 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 77' ' ' ALA . 8.8 mt -53.82 130.4 36.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 t -94.82 -57.47 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -123.51 173.32 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -66.48 135.37 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 47' ' ' LEU . 59.5 t -76.5 134.73 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 88' ' ' GLU . 17.6 t -106.43 166.01 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 87' ' ' SER . 11.5 tt0 -37.01 -63.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -45.61 -57.54 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.09 61.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 55' ' ' LEU . 5.3 tp -51.7 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 96' ' ' LYS . 16.6 mt -35.73 -50.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 96' ' ' LYS . 18.2 mm-40 -54.82 -40.69 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.584 ' O ' HG12 ' A' ' 98' ' ' VAL . 55.1 mt -67.71 -30.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.912 ' CD2' HG21 ' A' ' 69' ' ' VAL . 81.6 mt -68.28 -21.83 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 92' ' ' ILE . 9.7 mtmt -106.05 -7.39 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -101.9 -35.19 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 94' ' ' ILE . 14.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.416 ' CG ' ' N ' ' A' ' 39' ' ' ARG . 19.7 ptm -67.4 -49.73 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 10.2 ptm180 -54.87 -42.79 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 15.8 m-20 -53.01 -58.49 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ALA . 61.9 m -61.81 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.2 mt -40.14 -35.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.85 -40.97 88.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' SER . . . -74.12 -24.57 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.57 -30.09 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.6 m -90.55 -22.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HG ' HG23 ' A' ' 46' ' ' VAL . 89.6 mt -105.98 155.15 19.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.3 t70 -107.49 152.11 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ASP . 33.7 tt0 -34.75 -43.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -59.77 -61.0 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -56.02 -43.13 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -43.61 -45.62 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.15 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -47.61 -47.68 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.26 -64.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.8 t -41.3 -55.53 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -46.26 -52.7 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.8 tp -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.76 -39.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.88 -50.24 57.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LEU . 48.3 t -68.06 -60.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.17 90.4 45.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -19.63 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.32 -50.46 10.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -63.75 -40.43 96.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -48.77 -45.63 40.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.09 -58.11 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.919 ' CG2' HD23 ' A' ' 95' ' ' LEU . 94.1 t -45.62 -64.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' VAL . 28.2 mt-10 -36.46 -47.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.671 ' HA ' HD12 ' A' ' 74' ' ' ILE . 40.3 m-20 -73.85 -35.87 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.87 ' CD2' HG12 ' A' ' 98' ' ' VAL . 9.8 t80 -62.08 -43.2 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 HD21 ' A' ' 47' ' ' LEU . 93.3 mt -63.34 -53.36 53.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 71' ' ' ASN . 40.4 mt -43.32 -55.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.58 -43.92 62.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.97 -31.37 70.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.36 -47.65 78.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.12 -49.85 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -55.15 -35.2 64.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.67 39.4 4.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.04 -42.46 8.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -58.63 120.33 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 m -78.86 -45.17 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.84 171.31 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.54 116.59 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.51 141.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.5 t -105.09 159.83 15.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' SER . 26.1 tt0 -35.44 -55.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.91 -61.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.56 -53.96 29.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.4 tp -43.26 -58.98 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' LEU . 89.4 mt -41.64 -55.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.55 -50.36 74.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 98' ' ' VAL . 35.2 mt -46.99 -57.93 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' CG2' ' A' ' 69' ' ' VAL . 6.7 mt -37.79 -44.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -74.83 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 36.4 mttm -65.5 -52.95 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.4 ptm -50.44 -43.4 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 29.0 ptt180 -63.91 -49.94 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.491 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 3.6 t-20 -41.39 -52.28 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -62.55 -44.7 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.8 mt -59.62 -27.06 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 70' ' ' GLU . 34.4 mt -83.13 -33.23 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.15 60.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -78.98 -34.76 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 42' ' ' ILE . 21.8 m -83.25 -14.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 51.5 mt -115.69 130.53 56.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.67 163.86 25.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.88 -46.54 42.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -57.1 -56.82 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.49 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -49.95 -50.04 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.54 -52.99 33.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.42 -56.97 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 47' ' ' LEU . 59.1 tp -44.79 -36.4 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -72.91 -37.09 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 65' ' ' LYS . 18.5 tp -62.6 -31.83 72.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.08 -8.9 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.7 -62.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.0 p -53.09 -46.57 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.616 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.2 pttt -160.96 105.02 1.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.8 13.78 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.57 -33.84 23.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HD2' HD21 ' A' ' 58' ' ' LEU . 1.1 tmtp? -82.78 -41.18 19.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -58.18 -36.41 73.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -59.94 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.21 -51.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 HG11 ' A' ' 98' ' ' VAL . 25.2 t -57.23 -48.26 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 43' ' ' LEU . 11.7 mt-10 -53.01 -48.79 67.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.62 -40.0 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 94' ' ' ILE . 48.6 t80 -54.07 -56.15 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 47' ' ' LEU . 34.9 mt -50.41 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' ALA . 18.3 mt -35.49 -65.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -40.82 -51.5 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.644 ' CE ' HD21 ' A' ' 82' ' ' LEU . 29.5 mtm -60.07 -31.31 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -71.46 -55.62 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -47.9 -48.8 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -63.24 -48.92 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.63 40.17 1.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -92.05 -41.2 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.644 HD21 ' CE ' ' A' ' 76' ' ' MET . 17.7 mt -67.07 91.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 m -59.86 -54.26 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -125.97 165.43 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -53.76 158.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.442 HG13 ' HA3' ' A' ' 90' ' ' GLY . 84.5 t -107.27 125.77 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' GLU . 2.4 m -88.55 166.64 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE2' HD11 ' A' ' 92' ' ' ILE . 3.0 tm-20 -34.37 -54.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.25 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -42.99 -45.9 6.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.1 tp -54.22 -70.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 95' ' ' LEU . 93.7 mt -39.45 -36.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.42 -38.91 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 72' ' ' TYR . 96.0 mt -62.73 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -59.16 -19.67 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.75 -8.28 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -103.66 -46.68 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' VAL . 6.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.843 0.354 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 4.3 ptp -66.18 -35.65 81.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 74' ' ' ILE . 9.3 ptp180 -70.97 -35.34 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 34.5 m-20 -78.72 -15.81 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -92.08 -48.3 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.7 mt -64.01 -19.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.06 -28.46 24.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.17 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -85.34 -36.68 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.631 HG23 ' HG ' ' A' ' 47' ' ' LEU . 28.9 m -85.27 -13.94 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -117.35 123.18 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 33.2 t70 -74.43 149.91 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' ASP . 7.4 tt0 -34.56 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' ASP . 63.4 p -65.29 -62.98 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.03 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.401 HH21 ' CD1' ' A' ' 47' ' ' LEU . 3.3 mmp_? -41.76 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -64.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -42.13 -47.02 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 91' ' ' LEU . 20.6 tp -57.28 -64.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -44.41 -45.63 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -55.14 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 66' ' ' THR . 7.8 tt -58.39 -37.59 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.05 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -79.98 -54.4 5.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 62' ' ' LYS . 5.7 p -61.85 -44.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' N ' HG13 ' A' ' 61' ' ' VAL . 3.4 pttm -164.54 115.59 0.93 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -19.17 36.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -50.39 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HB2' HD21 ' A' ' 58' ' ' LEU . 32.8 mmtt -39.41 -59.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.621 HG23 HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -41.55 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' THR . 36.8 mtmt -34.97 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 65' ' ' LYS . . . -73.89 -49.71 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.095 HG21 HD23 ' A' ' 95' ' ' LEU . 89.5 t -62.95 -51.95 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -41.52 -43.32 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.58 -43.37 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.648 ' HE2' HG23 ' A' ' 94' ' ' ILE . 15.0 t80 -57.67 -47.7 81.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.691 HD13 HD21 ' A' ' 47' ' ' LEU . 24.9 mt -61.83 -47.71 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ARG . 54.9 mt -55.08 -52.16 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 76' ' ' MET . 9.9 pt20 -61.49 -34.88 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.435 ' CE ' HD21 ' A' ' 82' ' ' LEU . 23.9 mtm -62.69 -42.5 99.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -62.46 -51.27 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -43.54 -56.49 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -52.12 -55.41 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.77 25.58 2.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.07 -45.99 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 76' ' ' MET . 12.5 mt -69.91 108.35 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -95.01 -52.26 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -104.84 164.24 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -67.24 127.87 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.38 128.01 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' GLU . 58.6 m -94.57 162.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.8 tt0 -34.52 -52.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -52.86 -59.05 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.4 -57.43 9.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD11 HD13 ' A' ' 55' ' ' LEU . 5.7 tp -46.19 -65.88 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.459 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 67.4 mt -36.08 -46.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.648 HG23 ' HE2' ' A' ' 72' ' ' TYR . 74.7 mt -58.95 -42.38 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.095 HD23 HG21 ' A' ' 69' ' ' VAL . 93.6 mt -53.13 -22.81 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -106.86 27.07 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -127.75 -46.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.0 ptm -52.27 -47.52 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 42' ' ' ILE . 39.3 ptt180 -62.38 -43.11 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -47.74 -48.93 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -69.46 -53.9 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 39' ' ' ARG . 30.0 mt -44.48 -36.87 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' VAL . 19.4 mt -74.05 -35.81 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.33 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.428 ' CD ' ' HA ' ' A' ' 42' ' ' ILE . 3.9 pt20 -69.37 -34.39 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 82' ' ' LEU . 35.2 m -84.71 -17.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 73' ' ' LEU . 75.7 mt -116.41 123.62 47.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLN . 2.1 p-10 -79.63 156.68 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ASP . 27.9 tt0 -35.11 -60.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 m -41.74 -67.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.74 -56.04 11.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.1 -60.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.95 75.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.3 tmt_? -64.8 -34.52 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.559 HD21 ' OE1' ' A' ' 70' ' ' GLU . 13.9 tp -67.72 -58.64 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -52.96 -48.49 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -43.83 -46.21 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ALA . 12.3 tp -54.81 -48.9 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.88 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' LEU . 13.0 mt -66.86 -56.46 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.03 -64.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -141.65 114.61 6.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.5 Cg_endo -69.74 -43.66 2.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' PRO . 6.2 tt0 -34.55 -54.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -59.38 -64.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -35.73 -43.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.85 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.779 HG21 HD23 ' A' ' 95' ' ' LEU . 60.4 t -53.92 -62.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' OE1' HD21 ' A' ' 55' ' ' LEU . 5.7 mm-40 -39.78 -38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -83.54 -31.09 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.655 ' CG ' HG12 ' A' ' 98' ' ' VAL . 11.6 t80 -67.5 -38.84 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.605 ' CD1' HD11 ' A' ' 47' ' ' LEU . 38.4 mt -68.18 -59.59 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' LEU . 58.5 mt -36.87 -61.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -42.16 -54.59 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.448 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 45.0 mtm -53.98 -35.35 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -68.73 -57.21 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mtp-105 -43.03 -58.37 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.03 -28.69 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.01 30.93 24.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 76' ' ' MET . 4.3 pt20 -83.71 -16.17 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 46' ' ' VAL . 30.0 mt -66.64 138.66 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -88.75 -55.88 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -157.67 170.9 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -40.39 122.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.0 132.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.4 m -98.33 162.09 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' SER . 13.7 tt0 -34.6 -60.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -46.77 -54.54 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.63 -50.2 61.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -53.37 -64.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.42 HG12 ' NE ' ' A' ' 54' ' ' ARG . 80.4 mt -36.75 -47.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.55 -40.48 83.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 97' ' ' LYS . 61.3 mt -57.31 -53.07 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.779 HD23 HG21 ' A' ' 69' ' ' VAL . 61.9 mt -38.69 -44.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.58 -36.36 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.5 mtpm? -68.91 -60.23 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.655 HG12 ' CG ' ' A' ' 72' ' ' TYR . 1.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptm -46.37 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.2 ptt180 -67.07 -43.46 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 3.9 t-20 -50.39 -40.05 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -73.48 -35.72 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 39' ' ' ARG . 20.5 mt -68.05 -39.21 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 70' ' ' GLU . 48.2 mt -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.85 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' HG ' ' A' ' 47' ' ' LEU . 35.5 m -80.89 -18.71 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 73' ' ' LEU . 90.4 mt -114.15 122.92 48.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLN . 9.0 t0 -78.63 153.78 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . 35.1 tt0 -35.29 -37.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -59.71 -72.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.06 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 4.7 mmm180 -46.62 -52.7 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.79 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -50.17 -40.6 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.49 -66.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -44.74 -30.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -70.24 -43.55 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 95' ' ' LEU . 2.3 tt -55.18 -29.91 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.0 -18.88 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.81 -73.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -52.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 pttt -152.62 115.14 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.0 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 11.0 pt-20 -45.43 -53.45 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.61 -44.64 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -59.54 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ALA . 40.2 mttp -45.19 -65.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -34.44 -59.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.761 HG21 HD23 ' A' ' 95' ' ' LEU . 99.7 t -48.76 -49.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HB3' HD11 ' A' ' 43' ' ' LEU . 49.2 mt-10 -52.36 -52.06 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.1 m-20 -60.32 -32.78 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -63.36 -58.24 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' CD1' HD21 ' A' ' 47' ' ' LEU . 86.7 mt -54.62 -35.27 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 71' ' ' ASN . 27.7 mt -62.34 -65.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' MET . 3.6 pt20 -46.01 -34.45 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 24.8 mtm -74.78 -43.66 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' ARG . . . -56.49 -62.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ALA . 32.0 mtp85 -37.95 -60.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -51.04 -39.32 55.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.02 52.17 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -103.01 -21.85 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.69 -73.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 m 61.19 30.95 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -169.65 -179.79 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -99.9 104.84 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.18 139.36 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -94.22 150.79 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -45.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -46.18 75.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.77 -50.84 60.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 54' ' ' ARG . 6.0 tp -51.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' LEU . 32.3 mt -34.75 -49.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -66.4 -51.65 54.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.71 -41.34 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 69' ' ' VAL . 59.7 mt -49.74 -44.56 48.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.37 23.36 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -118.36 -45.51 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 69' ' ' VAL . 7.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 42' ' ' ILE . 10.7 ptm -79.36 -47.02 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -58.41 -33.67 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -84.19 -18.68 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -80.22 -55.82 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 38' ' ' MET . 4.9 mp -62.96 -27.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 46' ' ' VAL . 35.3 mt -82.55 -31.3 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.43 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -83.82 -33.7 24.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 82' ' ' LEU . 35.3 m -85.98 -15.82 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 73' ' ' LEU . 98.1 mt -115.15 117.51 30.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.28 164.06 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -40.87 -34.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -64.47 -70.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.37 -52.88 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.2 mmp_? -36.84 -50.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.35 -54.53 31.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -48.66 -43.32 36.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -64.35 -61.59 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t -40.36 -45.13 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -55.46 -46.61 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.6 -31.97 64.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -56.68 -22.5 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.47 -74.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' LYS . 7.6 p -44.0 -48.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . 1.4 pttt -160.86 105.01 1.28 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' THR . 54.3 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.47 -53.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.39 -39.32 90.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' PRO . 1.7 m -61.01 -44.18 97.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -55.15 -52.58 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.54 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 95' ' ' LEU . 88.1 t -58.84 -58.12 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -47.01 -39.01 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.55 -27.37 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 94' ' ' ILE . 40.3 t80 -72.62 -42.79 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 47' ' ' LEU . 44.8 mt -66.82 -41.19 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.8 mt -58.81 -48.81 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' MET . 7.6 pt20 -63.96 -35.12 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 33.8 mtm -69.99 -40.03 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 42' ' ' ILE . . . -63.94 -59.19 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -47.62 -46.61 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.09 -47.58 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 42.16 1.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -96.59 -27.74 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 46' ' ' VAL . 5.3 mp -73.39 150.02 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -117.66 -49.88 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -132.02 178.28 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -66.6 127.33 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.14 128.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLU . 89.8 p -99.36 164.33 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.6 tt0 -34.66 -61.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.05 -50.65 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.98 -51.86 55.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.9 tp -46.41 -65.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 95' ' ' LEU . 83.0 mt -38.4 -45.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -37.6 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.8 mt -65.36 -37.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 69' ' ' VAL . 52.6 mt -56.7 -21.46 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.63 -11.25 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -94.04 -34.94 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.8 ptm -57.14 -52.12 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HA ' HD12 ' A' ' 42' ' ' ILE . 17.8 ptt180 -55.56 -43.25 75.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 31.7 m-20 -49.91 -54.86 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 m -61.25 -30.94 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 46' ' ' VAL . 36.8 mt -72.51 -37.17 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.513 ' HA ' HG22 ' A' ' 46' ' ' VAL . 40.8 mt -79.03 -27.86 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -82.89 -38.31 23.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' HG ' ' A' ' 47' ' ' LEU . 30.7 m -80.36 -16.66 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -120.6 124.34 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.62 166.01 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -49.07 -40.91 33.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -59.85 -66.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -49.7 -51.76 36.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.73 HH21 HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.16 -55.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.07 -51.84 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -50.46 -47.49 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD23 HH21 ' A' ' 52' ' ' ARG . 18.5 tp -60.05 -58.5 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 t -51.09 -37.17 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -58.06 -35.66 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.2 tp -74.54 -24.49 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.18 59.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.46 -69.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' H ' ' A' ' 62' ' ' LYS . 2.5 m -45.42 -57.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' H ' HG23 ' A' ' 61' ' ' VAL . 6.1 pttt -149.0 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -33.76 15.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -43.12 -72.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 69' ' ' VAL . 21.4 mmtm -42.96 -45.18 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.31 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -54.65 -63.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.5 -61.45 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 95' ' ' LEU . 80.4 t -41.18 -53.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -47.19 -52.36 15.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.8 t30 -61.77 -22.03 65.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 10.7 t80 -80.73 -53.67 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.998 HD13 HD21 ' A' ' 47' ' ' LEU . 51.6 mt -57.24 -13.6 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 71' ' ' ASN . 84.5 mt -85.67 -55.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 6.9 pt20 -46.92 -42.76 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.819 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.45 -40.51 96.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -61.41 -49.65 76.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -56.13 -47.35 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 12.3 m-85 -57.8 -38.68 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 29.57 8.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -88.83 -30.91 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD21 ' SD ' ' A' ' 76' ' ' MET . 10.6 mt -61.19 115.22 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -76.97 -50.44 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.96 172.29 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -46.81 128.19 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 124.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -81.9 158.5 23.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.51 ' OE2' HD11 ' A' ' 92' ' ' ILE . 7.0 tm-20 -39.29 -55.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -51.03 -57.4 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.35 -48.56 40.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 47' ' ' LEU . 6.1 tp -55.38 -56.72 16.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.51 HD11 ' OE2' ' A' ' 88' ' ' GLU . 96.0 mt -43.8 -42.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -62.94 -55.28 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.9 -47.74 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 69' ' ' VAL . 10.7 mt -43.73 -37.21 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 37.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -133.15 -38.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' HD12 ' A' ' 42' ' ' ILE . 18.8 ptm -54.92 -46.39 74.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASN . 24.9 mtp180 -63.41 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ARG . 91.9 m-20 -34.43 -60.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -49.57 -62.03 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.7 mt -45.22 -38.78 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.32 -25.29 54.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -82.56 -32.13 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 42' ' ' ILE . 29.4 m -86.41 -30.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 73' ' ' LEU . 65.6 mt -93.49 160.32 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -117.22 162.81 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -40.82 -37.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 m -62.51 -63.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -53.93 -50.7 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.36 -56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.31 -64.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -45.81 -55.57 6.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 tp -49.87 -52.03 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.2 m -52.64 -59.91 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -54.04 -40.31 66.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.451 HD21 ' HD2' ' A' ' 62' ' ' LYS . 3.5 tt -59.35 -24.64 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.67 -26.02 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.22 -55.92 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 62' ' ' LYS . 3.3 p -65.01 -54.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG3' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -135.03 87.64 28.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -50.25 -26.86 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -80.05 -53.75 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -58.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 33.6 mttp -42.72 -66.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -36.41 -51.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.039 HG22 HG11 ' A' ' 98' ' ' VAL . 96.3 t -54.57 -50.78 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.6 -52.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.496 ' HA ' HD12 ' A' ' 74' ' ' ILE . 50.8 t30 -57.61 -42.12 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -55.37 -39.67 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.7 HD11 HD21 ' A' ' 47' ' ' LEU . 51.1 mt -69.74 -54.44 13.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 71' ' ' ASN . 68.5 mt -42.02 -57.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -46.9 -52.1 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.1 mtm -56.08 -39.01 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -57.24 -63.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -46.17 -47.31 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -55.48 -40.44 71.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.1 50.38 2.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -110.05 -40.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 86' ' ' VAL . 14.7 mt -64.38 92.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -62.42 -48.56 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.98 164.32 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -56.69 119.29 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 82' ' ' LEU . 64.3 t -53.21 129.2 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.3 t -97.58 164.38 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.4 tt0 -34.39 -56.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.56 -58.26 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.46 -50.32 48.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.5 tp -51.28 -61.58 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.762 HG22 ' NZ ' ' A' ' 96' ' ' LYS . 38.6 mt -39.19 -41.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.85 -58.33 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' HG12 ' A' ' 98' ' ' VAL . 84.9 mt -48.0 -38.98 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -51.16 -33.67 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.762 ' NZ ' HG22 ' A' ' 92' ' ' ILE . 2.9 mppt? -79.13 -19.38 51.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.487 ' HE3' ' CB ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 -52.65 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 1.039 HG11 HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 42' ' ' ILE . 1.5 mtm -68.48 -51.48 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -55.03 -39.35 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -59.29 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -65.3 -56.01 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 46' ' ' VAL . 19.6 mt -44.28 -28.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 74' ' ' ILE . 28.4 mt -83.16 -36.14 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -30.56 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -76.43 -36.52 57.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.5 m -83.32 -15.78 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 91' ' ' LEU . 21.2 mt -113.43 113.06 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 t0 -67.75 150.88 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ASP . 22.4 tt0 -37.0 -37.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -63.97 -68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -52.27 -43.51 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -41.35 -57.73 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -46.54 -69.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 8.9 tpt180 -36.61 -64.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.785 HD21 ' CG ' ' A' ' 70' ' ' GLU . 15.8 tp -37.61 -40.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -69.05 -43.65 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -56.04 -42.42 76.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.687 HD11 ' NZ ' ' A' ' 62' ' ' LYS . 12.4 tp -62.62 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -94.26 -60.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 62' ' ' LYS . 4.9 p -61.75 -40.34 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.687 ' NZ ' HD11 ' A' ' 58' ' ' LEU . 4.5 pttp -166.12 105.0 0.7 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.8 Cg_endo -69.79 -37.38 9.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' PRO . 28.9 tt0 -37.61 -65.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.3 mmmt -50.0 -53.41 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -43.73 -54.53 5.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -49.47 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.47 -57.69 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.556 HG21 ' HG ' ' A' ' 95' ' ' LEU . 47.6 t -51.35 -45.85 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.785 ' CG ' HD21 ' A' ' 55' ' ' LEU . 28.2 mt-10 -60.2 -52.23 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -64.81 -25.97 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -66.58 -39.67 88.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 94' ' ' ILE . 52.2 mt -71.77 -51.03 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 43' ' ' LEU . 91.1 mt -40.76 -60.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -48.6 -55.35 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.4 mtm -53.77 -39.02 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -59.4 -51.35 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -47.69 -53.6 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -63.26 -28.13 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.98 37.5 7.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -84.46 -37.69 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 46' ' ' VAL . 4.9 mp -53.92 116.11 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 m -67.57 -49.11 64.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.31 163.62 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -38.01 137.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.27 135.76 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 88' ' ' GLU . 90.7 p -102.41 160.35 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 87' ' ' SER . 31.2 tt0 -36.55 -45.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -56.29 -68.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.04 -57.22 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.732 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.4 tp -40.09 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.593 ' HA ' HD13 ' A' ' 95' ' ' LEU . 61.6 mt -39.96 -44.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.44 -33.59 75.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 73' ' ' LEU . 53.4 mt -62.11 -50.4 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -49.71 -35.8 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -83.66 20.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -129.15 -42.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.503 HG11 HG22 ' A' ' 69' ' ' VAL . 3.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -46.8 111.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -96.48 98.4 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.6 -99.2 1.71 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m -82.75 150.97 26.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -103.46 -59.98 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.19 108.39 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.31 151.7 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 10' ' ' ARG . 18.6 mmt180 -102.48 40.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' ARG . 10.7 mtt85 -36.74 136.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -112.69 75.47 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -164.74 130.13 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD23 ' H ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -96.94 148.4 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.35 147.42 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -48.44 155.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 17' ' ' GLN . 2.4 pp -71.32 169.11 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.502 ' N ' HD12 ' A' ' 16' ' ' LEU . 39.1 tt0 -115.44 97.03 5.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.31 103.37 4.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -88.44 127.75 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -54.48 146.63 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.98 -140.59 48.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 5.6 t70 -174.99 139.98 0.64 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 22' ' ' ASP . 53.3 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.47 -129.4 9.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.73 89.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.32 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.73 -56.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.56 -46.22 33.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.9 tp-100 -39.53 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' GLN . 14.7 mm100 -36.49 -40.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.15 -53.56 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.56 -51.8 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -57.91 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -68.77 -47.76 65.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -61.67 -39.17 90.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.65 -19.08 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -93.18 -22.43 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.95 -43.74 19.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.3 ptm -64.75 -47.61 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.5 ptm180 -55.37 -45.99 76.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -51.28 -57.99 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -56.64 -25.93 54.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.6 mt -78.77 -35.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' A' ' 70' ' ' GLU . 51.7 mt -80.88 -32.28 34.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.54 -22.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 20.7 pt20 -88.37 -33.82 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.742 HG23 ' HG ' ' A' ' 47' ' ' LEU . 27.6 m -88.13 -18.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.05 HD21 HD13 ' A' ' 73' ' ' LEU . 11.9 mt -115.99 114.56 24.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -66.07 156.5 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -42.89 -31.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -69.63 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.52 -35.52 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -57.08 -57.63 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -54.18 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 66' ' ' THR . 7.3 tp -55.32 -71.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' LEU . 42.8 t -37.28 -52.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -45.93 -42.45 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.576 HD23 ' OG1' ' A' ' 66' ' ' THR . 5.6 tp -73.06 -46.85 49.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.63 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LEU . 72.4 mt -68.93 -64.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.08 -40.2 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -126.87 82.36 67.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.16 2.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.37 -50.68 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HZ1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.38 -66.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.634 HG23 ' CD1' ' A' ' 55' ' ' LEU . 89.4 m -48.29 -42.54 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -46.48 -58.2 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 67' ' ' LYS . . . -51.0 -39.62 56.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG21 HD23 ' A' ' 95' ' ' LEU . 37.8 t -61.39 -41.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' CD ' HD13 ' A' ' 43' ' ' LEU . 4.9 mm-40 -53.0 -47.88 67.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.33 -38.47 91.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.12 -51.6 67.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.05 HD13 HD21 ' A' ' 47' ' ' LEU . 43.5 mt -57.76 -42.58 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.1 -57.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' MET . 12.4 pt20 -57.05 -37.15 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 22.3 mtm -61.08 -37.95 84.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.53 -62.22 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -46.71 -55.48 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -51.42 -64.4 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 35.2 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -91.69 -40.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.76 108.29 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -72.4 -67.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -126.33 171.8 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -45.55 121.37 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.33 150.19 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.3 m -114.44 162.84 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.3 tt0 -35.4 -65.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -39.9 -58.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.28 -61.88 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 47' ' ' LEU . 5.3 tp -44.23 -61.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.54 -44.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.97 -36.35 83.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.7 mm -56.57 -45.83 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.977 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -46.42 -40.42 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -92.23 29.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.81 -46.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 69' ' ' VAL . 4.7 p -64.14 -33.11 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 t -66.84 -50.89 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -54.51 -41.19 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -88.51 118.74 28.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -43.37 152.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -170.3 146.61 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -153.45 176.15 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 p -61.25 87.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.6 p -97.03 122.11 39.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.3 t -112.41 149.28 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -111.79 130.82 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -109.58 112.33 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -167.77 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -101.02 119.26 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -62.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 p -138.65 131.79 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.04 146.34 18.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 173.64 10.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.371 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.2 p -158.56 152.92 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 57.8 p -62.21 124.37 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -85.71 111.84 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.818 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -73.81 -48.72 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.51 116.55 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -106.97 98.83 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -83.78 122.63 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.44 163.55 40.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -143.3 114.72 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -119.88 171.7 8.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -139.86 168.27 20.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -139.8 123.55 17.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.695 ' C ' HD13 ' A' ' 13' ' ' LEU . 61.9 mtm-85 -151.81 110.55 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.42 177.18 10.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.78 166.29 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.78 -176.75 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 16' ' ' LEU . 1.3 pt? -138.85 145.52 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -115.31 176.11 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.82 172.37 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -129.95 117.43 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -158.92 160.41 36.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.81 58.6 1.07 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 156.65 36.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.591 0.71 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.285 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.23 -42.82 17.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.3 m-20 -41.22 -36.14 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.41 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -78.13 -52.37 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -60.72 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 13.1 mt-30 -51.44 -39.45 57.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.62 -55.79 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 33' ' ' HIS . . . -53.36 -60.65 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -39.04 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.4 t-80 -64.53 -52.82 55.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -56.16 -38.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.26 -25.48 33.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.84 -36.87 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.06 -40.89 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 ptm -71.26 -51.9 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.0 ptm180 -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -54.5 -56.87 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -54.1 -52.12 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 39' ' ' ARG . 16.3 mt -51.47 -58.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.03 -56.89 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.81 -36.1 57.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.02 -39.33 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.582 ' HB ' HD13 ' A' ' 82' ' ' LEU . 26.6 m -92.25 12.9 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 91' ' ' LEU . 66.8 mt -128.51 106.64 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.33 156.95 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -44.12 -42.27 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -57.9 -62.86 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -50.94 -51.73 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 17.2 mmm180 -36.06 -60.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.24 -51.49 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt-85 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' A' ' 70' ' ' GLU . 13.6 tp -41.01 -58.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 19.8 t -53.61 -54.43 37.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.66 -49.9 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.476 HD23 ' OG1' ' A' ' 66' ' ' THR . 3.6 tp -54.0 -46.59 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -36.17 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' LEU . 33.8 mt -69.8 -53.61 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.57 -64.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.82 97.69 13.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -28.59 24.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -69.62 -42.92 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -64.72 -45.01 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.476 ' OG1' HD23 ' A' ' 58' ' ' LEU . 10.3 m -59.0 -42.1 89.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -53.59 -53.54 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.76 -51.45 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.01 HG21 HD23 ' A' ' 95' ' ' LEU . 56.8 t -52.49 -47.2 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' A' ' 55' ' ' LEU . 6.3 mm-40 -49.47 -37.06 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 74' ' ' ILE . 36.6 t30 -78.01 -33.59 51.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.06 -47.79 76.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.32 -52.23 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 71' ' ' ASN . 34.5 mt -42.76 -63.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -42.47 -53.27 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.62 ' CE ' HD21 ' A' ' 82' ' ' LEU . 31.5 mtm -57.02 -40.26 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.71 -60.89 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -47.15 -51.04 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.31 -64.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.03 45.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -97.57 -51.69 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD21 ' CE ' ' A' ' 76' ' ' MET . 26.6 mt -53.21 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.6 p -49.06 -44.69 42.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -152.64 169.98 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -39.31 137.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 82' ' ' LEU . 99.1 t -80.09 126.01 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.9 t -90.69 154.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.5 tt0 -34.82 -52.56 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -49.06 -55.53 11.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.15 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 47' ' ' LEU . 5.1 tp -48.7 -65.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' LEU . 97.4 mt -34.14 -52.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.03 -51.51 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.9 mt -44.66 -46.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.01 HD23 HG21 ' A' ' 69' ' ' VAL . 48.3 mt -52.12 -34.85 46.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 22.22 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.9 -50.48 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 69' ' ' VAL . 7.7 p -61.3 -33.22 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -43.55 -46.34 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -45.14 -53.07 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 52.64 38.11 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -163.46 164.83 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.454 ' HG2' HG23 ' A' ' 105' ' ' THR . 27.5 tt0 -142.03 141.22 32.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.29 -45.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 103' ' ' GLU . 80.9 p 42.36 43.22 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.4 m -133.24 144.06 49.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.5 m -137.26 118.46 14.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.19 46.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -53.45 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -169.58 115.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -158.52 116.66 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -98.1 139.02 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 t -145.88 156.91 43.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.88 65.15 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 103.87 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.4 p -156.34 132.49 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.9 t -66.35 138.49 57.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -144.73 177.78 8.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -153.91 170.36 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.01 -141.51 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -150.02 156.37 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -139.15 176.06 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.2 111.51 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.91 112.28 11.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -130.79 121.99 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.27 128.87 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -161.11 125.19 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -166.04 136.15 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -108.41 127.97 54.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.24 146.11 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -169.53 143.24 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 16' ' ' LEU . 4.3 pp -131.06 161.96 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.71 120.41 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.35 -51.79 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -158.64 123.21 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -92.67 113.62 25.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.22 107.9 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.53 155.16 71.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.4 Cg_endo -69.74 2.29 3.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -34.46 -48.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.77 -48.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.25 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -63.01 -43.59 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -45.75 -34.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -71.22 -31.6 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.0 tp10 -82.4 -51.88 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -41.47 -26.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 t-80 -74.4 -44.77 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 29.1 mmm-85 -60.21 -51.3 70.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -40.22 -31.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.35 -44.86 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.61 -45.3 89.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.5 ptm -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HG2' HD13 ' A' ' 74' ' ' ILE . 44.1 mtt180 -57.63 -44.49 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.25 -51.76 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.9 m -56.81 -41.96 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 46' ' ' VAL . 32.1 mt -67.74 -26.92 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 70' ' ' GLU . 23.0 mt -78.8 -39.64 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -66.26 -32.53 74.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 42' ' ' ILE . 35.0 m -90.18 -14.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 91' ' ' LEU . 73.2 mt -115.79 123.84 49.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLN . 15.7 t70 -78.49 150.6 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ASP . 44.3 tt0 -34.51 -45.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -60.19 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.21 -58.28 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -34.85 -62.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.65 -58.06 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -48.84 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.42 -62.57 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.3 t -45.11 -47.94 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.95 -48.2 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.558 HD22 HD22 ' A' ' 95' ' ' LEU . 4.3 tp -61.25 -26.95 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -47.79 -29.38 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -73.9 -68.8 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 62' ' ' LYS . 4.2 m -54.68 -50.45 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 61' ' ' VAL . 22.1 mttt -127.78 82.75 67.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -19.65 36.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.79 -45.51 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HE2' HG13 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -62.25 -44.57 96.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -54.36 -43.02 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -54.0 -56.05 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.43 -55.34 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.08 HG21 HD23 ' A' ' 95' ' ' LEU . 65.6 t -46.15 -56.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.556 ' HB3' HD11 ' A' ' 43' ' ' LEU . 62.3 mt-10 -46.23 -45.56 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.04 -29.65 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -72.81 -46.93 50.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 94' ' ' ILE . 96.7 mt -62.02 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.46 HD13 ' HG2' ' A' ' 39' ' ' ARG . 23.0 mt -56.11 -56.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' MET . 4.6 pt20 -55.86 -35.02 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 23.0 mtm -67.6 -37.77 83.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.68 -49.91 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.75 -52.48 65.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -54.65 -54.08 46.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.84 0.85 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.27 -45.75 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.95 126.84 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -95.09 -46.86 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.42 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -59.0 111.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.1 137.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLU . 21.9 p -103.83 164.61 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -34.78 -64.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -63.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.34 -49.54 19.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 47' ' ' LEU . 6.4 tp -57.23 -66.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 50.3 mt -36.69 -35.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.86 -45.47 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 66.9 mt -55.6 -43.63 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.08 HD23 HG21 ' A' ' 69' ' ' VAL . 21.4 mt -54.21 -27.59 35.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.7 22.67 9.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -123.8 -50.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.665 HG13 ' HE2' ' A' ' 65' ' ' LYS . 11.6 p -56.8 -25.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.4 t -93.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -45.0 -45.28 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.447 ' O ' ' CD ' ' A' ' 101' ' ' GLN . 0.2 OUTLIER 66.37 41.37 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -167.63 161.86 13.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.39 72.17 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -131.36 166.2 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.2 t -159.22 130.75 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.7 m -164.41 114.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -159.94 118.18 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.7 t -132.06 111.86 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -121.82 145.85 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -52.94 119.88 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -101.49 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 48.09 41.19 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -43.15 -55.95 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 145.39 83.38 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.54 3.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -99.83 123.6 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p -102.78 140.74 36.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -171.36 175.39 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -140.54 177.89 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.19 179.71 32.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -147.97 176.14 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -130.92 138.12 49.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 -162.99 30.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -165.46 125.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 8' ' ' LEU . 1.6 mpp_? -68.87 173.32 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.9 171.01 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.49 175.38 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -92.67 175.71 6.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mp -70.39 170.77 11.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.46 139.55 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.33 156.68 17.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.7 pt? -119.79 170.34 9.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.49 131.79 56.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 143.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 125.71 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -81.51 136.67 35.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.23 -64.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.514 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -38.74 157.22 0.11 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 25' ' ' ASP . 53.3 Cg_endo -69.84 -48.3 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.72 -78.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' PRO . 82.0 m-20 -40.81 -50.58 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.02 -51.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.83 -53.44 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.9 tt0 -36.94 -59.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.38 -37.93 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.5 tp10 -81.14 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.89 -59.25 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -44.0 -38.3 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -56.47 -58.44 8.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -57.16 -36.8 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -62.6 -22.64 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.65 -14.32 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -93.06 -45.72 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' ILE . 14.8 ptm -64.31 -37.59 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.38 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -59.48 -48.3 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -63.35 -63.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.8 mt -43.91 -38.99 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.7 -44.89 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.45 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 85' ' ' LYS . 25.7 mt-30 -77.58 -24.79 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 42' ' ' ILE . 22.1 m -96.9 -15.89 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.02 156.89 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -112.07 162.11 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -42.09 -35.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -62.03 -71.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.9 -48.83 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -37.83 -50.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.01 -63.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -46.56 -49.09 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.13 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 2.7 t -45.95 -47.41 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.9 t30 -51.13 -46.4 61.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.7 tp -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -64.05 -9.55 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 57' ' ' ASN . 9.1 mt -97.92 -69.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.23 -37.04 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 19.9 pttt -169.28 105.0 0.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.5 Cg_endo -69.75 -38.02 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' PRO . 22.1 tt0 -37.77 -69.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.11 -47.5 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -49.88 -48.84 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -50.2 -60.5 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.64 -54.32 7.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 95' ' ' LEU . 57.4 t -53.99 -61.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -40.26 -40.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.6 t-20 -72.04 -43.16 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -49.43 -53.34 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.5 HD21 HD13 ' A' ' 94' ' ' ILE . 35.4 mt -58.08 -51.48 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 71' ' ' ASN . 88.1 mt -43.98 -60.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 43.0 mt-30 -49.26 -50.06 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.493 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.4 mtm -54.78 -32.32 59.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ILE . . . -63.23 -68.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 2.8 m-85 -64.78 -39.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.54 33.34 5.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -92.65 -21.34 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD21 ' CE ' ' A' ' 76' ' ' MET . 9.3 mt -88.79 133.01 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.7 m -111.1 -42.76 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -123.29 168.88 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 45' ' ' GLN . 36.0 mttm -71.79 114.43 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.89 125.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' GLU . 60.6 p -99.2 171.12 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' SER . 9.6 tt0 -36.25 -59.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -45.55 -65.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.01 -54.8 9.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -49.89 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 58.1 mt -35.43 -37.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -43.96 38.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.5 HD13 HD21 ' A' ' 73' ' ' LEU . 65.6 mt -51.5 -42.2 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 69' ' ' VAL . 37.3 mt -56.81 -33.96 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -72.23 -3.83 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -102.02 -53.21 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 69' ' ' VAL . 1.9 p -72.31 -32.41 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.5 p -51.57 -53.98 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.41 -42.12 91.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -62.17 163.02 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.6 t 40.94 34.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -106.75 114.1 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -99.82 -55.92 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 t 39.72 40.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 106' ' ' THR . 12.9 t -97.54 121.44 39.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.7 p -137.6 166.6 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 108' ' ' VAL . 12.7 p -105.65 36.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 110' ' ' PHE . 9.3 tmtt? -147.98 142.83 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.454 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 4.6 p90 -159.0 174.57 14.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -122.8 126.59 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -74.86 149.78 39.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t 50.8 48.61 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.11 -94.38 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.17 25.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.0 m -160.58 151.76 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.9 p -159.05 173.94 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -126.57 -46.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -81.04 147.84 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.0 -154.52 8.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -145.76 162.49 37.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 110.822 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -132.5 142.12 49.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.52 -167.4 41.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -141.7 179.39 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -131.7 172.52 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -140.31 179.41 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -95.56 -177.4 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.08 162.29 31.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HA ' HD13 ' A' ' 13' ' ' LEU . 1.9 mm? -115.11 -178.69 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.89 174.06 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.7 157.74 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.6 mt -103.96 -178.34 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -116.87 -178.33 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.55 179.42 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 111.0 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -101.58 169.84 8.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.33 106.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -160.71 157.75 23.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.61 -176.25 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 51.88 25.28 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.3 -28.25 31.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.97 -10.15 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.05 -35.97 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -59.94 -20.33 56.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.27 -24.61 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.16 -31.94 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 14.0 ptpt -79.16 -27.16 42.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.23 -37.34 86.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 37' ' ' GLU . 13.1 mmt180 -61.33 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 5.2 pt-20 -37.28 -34.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.76 -37.56 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' ARG . 10.7 mm-40 -56.16 -44.89 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 5.7 ptp -67.57 -36.44 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 38' ' ' MET . 94.4 mtt180 -68.05 -39.69 82.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -57.92 -46.83 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -65.81 -49.42 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 15.5 mt -58.35 -32.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 70' ' ' GLU . 20.3 mt -75.72 -32.75 60.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.29 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -70.72 -35.68 72.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 77' ' ' ALA . 35.6 m -80.86 -21.08 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 55' ' ' LEU . 21.7 mt -117.18 117.66 30.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 49' ' ' GLN . 13.3 t70 -70.39 167.59 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 1.9 tt0 -48.97 -43.29 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 m -55.2 -52.32 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -65.2 -48.4 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -41.48 -46.66 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -63.11 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -49.07 -56.35 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 47' ' ' LEU . 35.4 tp -41.9 -38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -69.94 -42.33 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -51.94 -41.37 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.14 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.16 -11.48 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -93.94 -63.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 p -55.34 -38.89 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 4.0 pttm -171.91 104.97 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.9 Cg_endo -69.75 -43.04 2.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.6 tt0 -34.66 -54.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.56 -49.95 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 67' ' ' LYS . 7.9 m -52.05 -54.66 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' THR . 24.8 mtpt -36.72 -62.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.05 -66.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 95' ' ' LEU . 61.0 t -41.01 -60.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.2 mt-10 -39.67 -49.33 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 74' ' ' ILE . 16.7 m-80 -71.94 -35.45 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.74 ' HE2' HG23 ' A' ' 94' ' ' ILE . 5.3 t80 -57.86 -38.09 75.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 94' ' ' ILE . 64.6 mt -72.09 -47.44 51.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 71' ' ' ASN . 44.6 mt -49.63 -48.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.59 -38.63 85.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.9 mtm -72.63 -31.92 65.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -39.54 -62.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -53.0 -50.7 63.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.24 37.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.37 -45.03 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.01 104.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.4 p -45.91 -65.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -150.3 172.98 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -39.43 121.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.7 t -78.88 122.47 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 53.2 p -89.39 168.8 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.0 tt0 -36.51 -61.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.11 -49.57 63.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.92 -31.97 69.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.6 tp -67.48 -64.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -37.48 -37.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.5 -43.65 98.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 73' ' ' LEU . 27.5 mt -54.97 -48.71 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 69' ' ' VAL . 21.5 mt -54.07 -34.53 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' HE2' ' N ' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -69.21 -18.69 63.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -95.37 -45.49 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.486 ' CG2' ' CD2' ' A' ' 72' ' ' TYR . 42.8 t -68.25 -55.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.5 t -39.55 -62.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.54 -39.68 67.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.425 ' O ' ' CG2' ' A' ' 102' ' ' THR . 17.7 tp60 -47.81 125.49 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 101' ' ' GLN . 9.4 t 42.32 42.86 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -45.6 136.35 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -102.14 -65.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.458 HG23 ' O ' ' A' ' 105' ' ' THR . 12.2 t -162.02 124.9 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 107' ' ' THR . 10.2 t -61.96 -49.36 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 107' ' ' THR . 21.8 m 51.85 32.09 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 p -172.06 149.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -81.61 145.59 30.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -103.54 160.56 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -163.59 166.26 22.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 127.01 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.8 m -46.63 154.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.04 167.99 35.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 178.15 4.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.1 t -105.15 177.25 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -42.7 -59.14 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -169.8 112.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -66.3 -60.3 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.87 118.33 4.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -137.31 149.6 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -125.71 -49.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.13 176.14 24.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -90.45 173.14 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttp180 -116.58 -50.92 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -108.84 86.25 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.33 152.01 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 170.06 15.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -145.87 128.64 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.28 111.71 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.68 173.74 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -123.29 151.85 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -114.81 132.66 56.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.03 150.27 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -55.26 -60.84 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -42.65 -44.19 4.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.79 71.81 0.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.59 144.0 50.52 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.09 -132.67 36.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -37.11 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.18 -40.64 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -64.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -38.4 -51.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.58 -47.05 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.28 -53.34 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -47.71 -38.77 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -53.43 -49.77 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -57.84 -43.39 85.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.8 -28.99 25.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.44 -19.17 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.86 -44.4 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.614 ' O ' HD12 ' A' ' 42' ' ' ILE . 9.6 ptp -67.56 -35.41 78.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 38' ' ' MET . 2.2 ptm85 -73.48 -32.08 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -85.6 -27.17 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m -82.81 -43.09 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 38' ' ' MET . 22.8 mt -66.75 -30.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' VAL . 74.5 mt -81.25 -29.94 34.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -26.97 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.13 -36.12 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.59 HG23 ' HG ' ' A' ' 47' ' ' LEU . 34.4 m -81.36 -20.37 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.59 ' HG ' HG23 ' A' ' 46' ' ' VAL . 52.3 mt -109.36 123.37 49.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 175.17 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -59.51 -50.76 72.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.3 m -49.79 -56.2 11.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -58.97 -51.87 68.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.7 mmm-85 -35.71 -53.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.58 86.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -59.74 -52.25 66.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.31 -49.16 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -56.63 -49.28 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.71 -30.83 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 65' ' ' LYS . 14.6 tp -76.12 -27.52 57.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.0 -6.77 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.05 -65.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.81 -38.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 pttm -170.68 104.97 0.41 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.0 Cg_endo -69.76 -46.19 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.0 pt-20 -35.27 -43.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 4.1 tppp? -67.86 -50.65 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -59.3 -32.73 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -55.9 -47.61 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.32 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.021 HG21 HD23 ' A' ' 95' ' ' LEU . 30.1 t -51.18 -64.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.7 mt-10 -34.8 -39.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.81 -41.32 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' VAL . 51.2 t80 -57.8 -43.17 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . 23.7 mt -62.71 -59.99 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' LEU . 63.2 mt -36.9 -51.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.4 -47.28 76.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 mtm -61.63 -30.63 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.83 -57.11 4.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -43.56 -48.62 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.36 -16.78 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 69.95 27.92 72.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.61 -14.65 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.44 122.49 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 t -60.87 -58.12 9.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.08 171.53 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -40.42 117.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.18 126.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLU . 96.8 p -101.27 169.85 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.11 -62.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -42.26 -65.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.07 -57.61 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -45.2 -64.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 96' ' ' LYS . 35.0 mt -40.55 -40.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -69.25 -34.22 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.692 ' O ' HG12 ' A' ' 98' ' ' VAL . 46.2 mt -67.47 -36.39 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 69' ' ' VAL . 17.2 mt -67.8 -11.94 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 92' ' ' ILE . 46.7 mttt -103.82 -14.67 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -101.06 -34.05 9.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.961 HG11 HG22 ' A' ' 69' ' ' VAL . 14.7 p -78.48 -26.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -45.02 -54.79 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -83.04 -47.49 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -76.03 80.26 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.3 t -169.46 124.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -150.62 143.16 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 104.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.2 p -138.7 -179.77 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 106' ' ' THR . 19.1 m 63.79 39.32 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.6 p -122.16 88.47 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 m -149.09 153.96 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -128.76 89.39 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -94.71 97.63 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -139.97 118.91 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' SER . 20.8 ttp180 -161.47 129.68 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 112' ' ' ARG . 4.1 t 34.55 46.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.31 146.07 40.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.0 25.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 p -67.49 112.1 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.0 t -65.88 113.08 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 45.29 42.94 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -121.31 140.91 51.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.12 179.79 19.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -159.67 176.61 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -161.99 169.34 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.43 -167.6 24.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 mt -140.71 171.38 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -139.93 150.49 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -129.07 172.77 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -150.43 179.98 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -146.38 144.98 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 tp -113.4 144.72 42.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.09 171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -119.15 175.56 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.42 157.58 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -114.53 166.94 11.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -79.78 97.08 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 74.9 t60 53.05 38.34 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.07 167.9 51.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.55 142.33 98.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.363 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.18 -139.29 27.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.53 -19.19 14.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -27.35 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.18 -53.5 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.86 -16.22 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -81.38 -38.19 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -53.55 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.28 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -66.95 -30.99 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.97 -30.22 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -63.78 -36.4 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 9.1 tt0 -53.83 -33.93 57.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' CG ' ' A' ' 39' ' ' ARG . . . -82.2 -19.5 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.01 -29.24 23.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.576 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.1 ptp -86.52 -36.8 18.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' CG ' ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -72.92 -25.31 61.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -82.46 -26.8 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 m -87.84 -37.44 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 38' ' ' MET . 20.0 mt -72.71 -29.19 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 70' ' ' GLU . 32.9 mt -79.33 -31.66 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.99 -35.8 64.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.28 -35.82 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 77' ' ' ALA . 31.6 m -82.64 -15.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -115.37 119.73 37.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.39 164.91 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -46.38 -56.62 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.2 m -45.32 -50.26 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -63.1 -52.08 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 5.9 mmm180 -37.84 -51.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.94 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -61.13 -52.91 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.12 -53.8 19.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -51.36 -36.33 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 65' ' ' LYS . 9.9 tp -74.19 -26.41 60.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -3.18 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.53 -68.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.4 p -51.4 -34.44 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG2' HG22 ' A' ' 61' ' ' VAL . 3.7 pttm -169.77 104.96 0.45 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -41.27 4.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.62 -61.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HG2' HD21 ' A' ' 58' ' ' LEU . 1.1 ttmp? -52.81 -38.09 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -70.58 -31.54 68.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.41 -49.03 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.065 HG21 HD23 ' A' ' 95' ' ' LEU . 83.1 t -42.77 -56.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 43' ' ' LEU . 14.9 mt-10 -46.23 -52.24 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -71.17 -19.87 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.505 ' HE2' HG23 ' A' ' 94' ' ' ILE . 16.7 t80 -77.59 -35.53 52.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 47' ' ' LEU . 28.3 mt -73.4 -47.88 38.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -47.5 -55.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.18 -49.08 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.1 mtm -62.09 -36.94 83.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -65.51 -49.51 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -53.45 -54.72 32.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -55.13 -54.19 46.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.33 30.71 1.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.8 -51.79 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 77' ' ' ALA . 9.1 mt -48.62 110.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -70.67 -68.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -117.38 -177.37 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -68.48 120.83 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.32 117.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' GLU . 64.5 p -90.95 172.27 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.04 -62.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.56 -50.7 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.63 -51.35 59.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.7 tp -52.51 -55.39 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.6 mt -47.15 -38.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -65.57 -40.15 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 72' ' ' TYR . 38.3 mt -62.07 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.065 HD23 HG21 ' A' ' 69' ' ' VAL . 15.5 mt -63.92 -16.85 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -89.62 -28.08 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -34.84 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLN . 14.0 t -73.87 -56.19 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' VAL . 16.1 t -37.01 -48.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -59.11 -40.53 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 98' ' ' VAL . 29.2 mt-30 -59.62 -174.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.96 49.94 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -172.82 176.65 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -102.87 151.06 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.7 t -54.53 158.19 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -124.96 12.04 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -104.1 106.05 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.7 m -98.59 136.08 30.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -83.46 133.11 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -140.3 168.08 20.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -154.49 145.5 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -155.68 154.68 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p 45.59 46.72 11.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.14 -85.28 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 61.8 m -149.05 163.25 38.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.6 m -109.62 129.01 55.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -167.7 168.47 12.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -174.22 139.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.21 157.47 29.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -162.72 171.39 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -167.55 169.73 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.01 115.95 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -136.25 118.3 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' N ' HD13 ' A' ' 8' ' ' LEU . 49.1 mtm180 -122.73 162.23 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -172.41 152.46 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -147.62 163.53 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 146.87 31.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -48.42 172.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.88 132.86 19.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -86.82 138.65 31.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 18' ' ' ALA . 3.7 pp -85.25 -43.13 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.64 ' N ' HD12 ' A' ' 16' ' ' LEU . 18.4 pt20 33.76 53.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.685 ' H ' HD12 ' A' ' 16' ' ' LEU . . . -93.8 122.43 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -77.54 -57.62 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -40.66 -69.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.65 105.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.34 150.06 40.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.6 Cg_endo -69.83 4.36 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -32.29 -46.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 m-20 -46.52 -53.23 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -34.67 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -66.03 -46.67 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' ASP . 6.6 pt20 -60.69 -42.81 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 88.1 mt-30 -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -53.08 -54.63 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -14.46 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -80.84 -29.2 35.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.03 -28.69 69.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -50.1 -51.25 44.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -48.44 -32.01 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.21 -30.78 22.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -71.82 -35.17 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 ptm -74.89 -52.58 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.5 -32.08 73.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -61.57 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.3 m -74.52 -45.38 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.3 -21.75 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 74' ' ' ILE . 13.9 mt -80.46 -38.79 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.84 -41.17 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' VAL . 12.9 pt20 -63.32 -35.98 82.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.9 m -87.21 -17.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 46' ' ' VAL . 82.0 mt -107.99 170.01 8.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 11.9 t0 -128.24 158.66 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp60 -38.05 -43.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -56.3 -71.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -47.47 -53.23 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ALA . 48.8 mmm-85 -35.51 -43.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 -60.7 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -53.6 -55.97 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.58 -54.2 24.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 m -57.26 -39.67 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.43 -32.44 70.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.7 -26.51 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -5.8 12.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -98.94 -65.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG13 ' HG2' ' A' ' 62' ' ' LYS . 14.9 p -56.58 -29.19 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.752 ' HG2' HG13 ' A' ' 61' ' ' VAL . 10.5 pttt -173.48 105.05 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.2 Cg_endo -69.81 -33.67 15.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -48.48 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -46.25 -40.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -66.51 -36.27 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -54.01 -48.84 70.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.92 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 95' ' ' LEU . 86.6 t -43.98 -57.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 74' ' ' ILE . 39.5 mt-10 -47.25 -56.3 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -58.71 -34.0 70.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.473 ' CE2' ' SD ' ' A' ' 76' ' ' MET . 81.6 t80 -64.6 -31.23 72.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ILE . 26.6 mt -76.27 -61.04 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.8 mp -36.15 -51.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -57.37 -47.65 81.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.473 ' SD ' ' CE2' ' A' ' 72' ' ' TYR . 19.7 mtp -57.23 -31.84 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.751 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.89 -52.73 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -49.66 -55.47 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -51.32 -48.1 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.51 39.06 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -94.57 -39.98 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' CE ' ' A' ' 76' ' ' MET . 8.8 mt -67.07 144.99 55.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.7 m -114.29 -60.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -109.64 171.3 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -68.95 115.26 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.81 124.73 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -97.28 179.06 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -37.06 -53.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' GLY . 41.1 mt-30 -56.22 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLN . . . -36.7 -42.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -61.22 -74.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 91' ' ' LEU . 21.3 mt -32.25 -41.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.0 -48.39 78.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.7 mt -64.79 -33.75 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -57.15 -30.43 64.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -85.62 -0.07 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -101.68 -60.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.457 HG11 HG22 ' A' ' 69' ' ' VAL . 2.4 p -54.41 -38.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 t -57.57 -43.85 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -69.34 -52.26 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -168.46 176.83 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 103' ' ' GLU . 9.1 t -118.82 -42.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.429 ' N ' HG23 ' A' ' 102' ' ' THR . 7.8 tm-20 -54.62 -62.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -147.92 149.56 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.2 p -119.39 107.69 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -128.34 -44.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.2 p 43.9 39.88 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.1 m -149.73 156.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -107.36 -50.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -111.46 148.34 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -121.33 166.83 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 114' ' ' GLY . 36.5 m -125.27 138.59 54.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 113' ' ' SER . . . 36.57 69.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.85 37.35 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.1 m -86.13 -52.11 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m 61.74 45.32 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -171.11 168.26 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -167.85 177.52 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.65 -167.38 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -173.62 178.17 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -147.18 179.4 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.8 13.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.71 145.07 24.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -125.49 174.88 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -146.83 -179.02 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -122.3 175.4 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -150.64 164.57 35.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.38 176.33 5.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.84 154.51 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -109.88 158.04 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -90.92 105.38 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -107.74 163.33 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.86 142.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.21 167.05 28.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.71 173.33 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.07 111.7 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.424 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -138.91 156.16 72.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.8 Cg_endo -69.8 3.01 3.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -34.73 -39.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -50.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.58 47.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -73.08 -54.77 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' ALA . 19.5 tt0 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.97 -46.06 82.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . 55.7 mm-40 -58.4 -49.97 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.36 43.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -64.35 -51.68 62.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -52.66 -34.77 53.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -52.34 -31.21 32.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.24 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.64 -39.18 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.7 ptp -64.78 -40.54 95.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 38' ' ' MET . 92.9 mtt180 -65.41 -41.5 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -64.84 -32.92 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -81.54 -40.18 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 46' ' ' VAL . 52.3 mt -61.45 -36.43 73.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HA ' HG22 ' A' ' 46' ' ' VAL . 23.1 mt -73.77 -27.68 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.99 -30.67 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.39 -39.18 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.687 HG23 ' HG ' ' A' ' 47' ' ' LEU . 32.9 m -80.67 -11.81 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 73' ' ' LEU . 31.8 mt -125.32 112.21 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.03 175.17 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' CD ' ' C ' ' A' ' 49' ' ' GLN . 8.5 tm0? -51.11 -45.76 61.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -51.6 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.0 -49.82 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.6 mmm180 -36.21 -46.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -54.08 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -53.68 -33.54 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.78 -63.2 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.8 t -50.74 -28.19 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.51 -50.23 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.92 -39.34 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.99 -25.11 4.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.83 -70.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -48.53 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -147.98 104.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.87 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -51.44 2.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -50.85 -63.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' THR . 49.3 mttp -34.12 -57.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.41 -54.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.98 HG21 HD23 ' A' ' 95' ' ' LEU . 95.2 t -48.44 -54.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -42.37 -59.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' A' ' 74' ' ' ILE . 63.8 t30 -53.75 -33.34 55.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.55 -54.56 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 47' ' ' LEU . 30.1 mt -57.47 -12.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 71' ' ' ASN . 42.1 mt -86.4 -48.27 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -52.6 -44.52 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.833 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -60.29 -43.9 95.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -56.72 -61.39 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -48.39 -45.64 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.37 43.02 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -101.59 -35.32 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' SD ' ' A' ' 76' ' ' MET . 13.1 mt -59.09 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.7 m 52.74 26.48 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.96 172.47 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -89.25 121.48 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 142.9 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 86.8 p -113.74 163.35 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.8 tt0 -34.65 -57.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -48.71 -55.13 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -56.65 20.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -47.55 -62.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.4 -47.39 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -37.26 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 73' ' ' LEU . 78.3 mt -69.36 -40.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.98 HD23 HG21 ' A' ' 69' ' ' VAL . 77.9 mt -55.52 -20.44 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -103.6 21.45 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -125.58 -51.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.642 HG11 HG22 ' A' ' 69' ' ' VAL . 2.7 p -55.41 -22.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 m -65.62 -29.65 70.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 102' ' ' THR . 10.5 tt0 -104.58 -42.2 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 55.51 37.87 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 100' ' ' GLN . 5.0 t -174.82 146.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -105.59 28.69 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 103' ' ' GLU . 10.2 tmtt? -34.9 -63.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.1 t -164.98 132.19 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.3 p -87.14 79.65 8.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -172.05 127.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.4 OUTLIER -149.53 158.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -156.99 144.38 18.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 109' ' ' LYS . 8.5 m-85 -168.79 124.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -154.72 155.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -148.54 137.2 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -136.71 160.21 39.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -161.38 82.76 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 173.23 11.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -162.76 177.82 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.8 t -148.74 165.65 30.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -125.69 150.98 47.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -92.52 155.74 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.37 142.52 16.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -117.01 -44.17 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -75.1 -43.94 50.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.73 -160.57 49.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.45 104.64 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -124.2 90.21 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' C ' ' HG2' ' A' ' 11' ' ' GLN . 8.8 mtt85 -78.02 149.02 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HG2' ' C ' ' A' ' 10' ' ' ARG . 33.5 mm-40 -156.94 149.02 22.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -121.97 157.35 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.22 111.22 23.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.17 -14.63 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -146.7 143.13 28.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.4 mt -141.39 174.28 10.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -122.66 128.99 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.61 138.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -159.94 129.03 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -110.44 123.29 49.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.46 53.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -122.84 144.11 42.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.583 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 53.5 Cg_endo -69.75 -21.37 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.285 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 -141.8 16.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -39.38 -46.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.843 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.583 ' HB3' ' HB2' ' A' ' 23' ' ' PRO . . . -34.11 -56.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.54 -48.06 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' GLN . 34.2 tp60 -42.1 -52.3 4.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' GLN . 11.0 pt20 -37.58 -37.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.75 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.67 -54.12 10.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 15.8 ptpt -42.04 -31.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 2.6 t-80 -65.55 -60.51 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -58.39 -34.42 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -70.67 -21.84 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -77.29 -24.44 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.86 -60.67 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 ptm -47.46 -45.52 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.489 HH11 HD11 ' A' ' 43' ' ' LEU . 22.7 ptt85 -63.14 -52.21 63.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.483 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 62.4 m-20 -38.85 -48.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -70.93 -57.11 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 41.7 mt -49.27 -25.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.489 HD11 HH11 ' A' ' 39' ' ' ARG . 42.7 mt -77.09 -45.33 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -11.6 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -96.09 -28.31 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 42' ' ' ILE . 6.9 m -97.82 -13.74 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD23 ' HB ' ' A' ' 86' ' ' VAL . 36.4 mt -116.35 149.85 38.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.7 t70 -97.84 146.2 25.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ASP . 10.9 tm0? -36.32 -33.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' ASP . 14.9 m -67.39 -61.21 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.77 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 5.6 mmm180 -42.93 -59.38 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.84 -60.61 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 91' ' ' LEU . 12.7 tpt180 -44.57 -45.41 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' SER . 6.9 tp -67.23 -70.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 t -36.48 -42.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -46.26 -52.79 11.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.08 -32.86 70.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -50.01 -35.83 26.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.46 -72.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 62' ' ' LYS . 3.0 m -44.81 -60.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.7 ' H ' HG23 ' A' ' 61' ' ' VAL . 7.0 pttt -142.46 110.48 5.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -43.62 2.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.9 mm-40 -38.92 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -34.42 -69.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -44.47 -49.6 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' THR . 6.3 ttmt -37.55 -43.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.28 -59.23 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.051 HG21 HD23 ' A' ' 95' ' ' LEU . 20.3 t -47.39 -54.55 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 74' ' ' ILE . 66.9 mt-10 -46.51 -55.7 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -59.39 -41.56 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 94' ' ' ILE . 55.7 t80 -52.91 -30.95 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 47' ' ' LEU . 32.2 mt -73.96 -57.9 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.6 mp -38.56 -56.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -49.85 -49.16 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.71 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.0 mtm -57.29 -33.01 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.47 -58.42 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -42.08 -59.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -47.88 -50.99 24.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.44 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.07 -46.35 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.71 HD21 ' CE ' ' A' ' 76' ' ' MET . 13.9 mt -51.34 127.35 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -95.1 -54.25 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -124.36 173.6 8.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -67.58 120.87 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' HB ' HD23 ' A' ' 47' ' ' LEU . 79.3 t -51.05 136.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 59.6 p -102.36 160.33 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 15.2 tt0 -35.2 -59.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.75 -57.69 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.66 -54.84 23.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 54' ' ' ARG . 5.7 tp -50.91 -62.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -38.28 -35.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -76.63 -39.29 52.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 72' ' ' TYR . 58.7 mt -69.74 -21.91 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.051 HD23 HG21 ' A' ' 69' ' ' VAL . 11.0 mt -70.89 -32.16 69.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.75 21.67 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -118.6 -44.04 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.674 HG11 HG22 ' A' ' 69' ' ' VAL . 4.1 p -60.85 -35.02 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 p -54.7 -20.58 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -87.39 -49.47 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -77.3 170.22 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 102' ' ' THR . 10.8 t -119.81 119.25 33.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.49 176.0 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -147.9 172.68 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -142.3 137.03 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.4 m -103.08 135.91 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 78.7 p -99.42 142.12 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.5 p -124.27 144.7 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -70.08 161.61 29.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CB ' ' HD3' ' A' ' 115' ' ' PRO . 26.2 p90 -82.42 124.09 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -108.77 -60.0 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.86 125.38 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.0 t 43.64 46.36 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.6 -90.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 110' ' ' PHE . 53.2 Cg_endo -69.76 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.1 t 58.83 42.43 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.9 p -115.23 168.59 9.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -67.61 159.17 30.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -67.75 140.64 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.86 139.03 2.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.77 112.02 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -157.43 135.42 10.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.78 70.75 0.12 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.98 157.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -114.95 63.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -80.41 174.24 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -127.79 122.5 32.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -144.88 131.89 20.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 13' ' ' LEU . 9.1 tt -138.92 110.63 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.01 145.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.65 137.72 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 113' ' ' SER . 37.2 mt -150.27 119.07 6.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -132.72 147.62 52.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.86 -177.8 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -115.33 -68.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -121.51 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.25 -112.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.27 138.72 14.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -9.22 25.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -39.54 92.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PRO . 41.3 m-20 36.16 30.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -87.24 -26.93 23.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -93.01 -55.1 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' ALA . 30.9 tp60 -35.55 -44.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 3.7 pt20 -70.85 -41.93 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.6 tp10 -71.13 -62.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -45.5 -66.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HA ' ' CD ' ' A' ' 35' ' ' GLU . 20.0 pttt -37.21 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' ALA . 1.3 t-80 -79.54 -42.6 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . 23.4 mmm-85 -64.17 -48.33 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' CD ' ' HA ' ' A' ' 32' ' ' LYS . 6.2 pt-20 -50.72 -32.43 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.61 -31.94 14.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.89 -18.44 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 24.5 ptm -88.35 -51.93 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' CB ' HD11 ' A' ' 74' ' ' ILE . 12.8 ptm180 -63.92 -47.1 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -46.9 -38.06 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -80.34 -44.07 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 18.0 mt -67.02 -19.44 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -87.45 -25.85 23.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.22 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HG3' HG13 ' A' ' 46' ' ' VAL . 13.8 pt20 -98.09 -33.66 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 47' ' ' LEU . 26.8 m -86.97 -28.79 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 46' ' ' VAL . 83.1 mt -102.76 147.8 26.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 6.7 t70 -99.45 157.9 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 8.2 tp60 -37.18 -35.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.4 m -63.17 -71.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.89 -30.19 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -58.49 -47.28 84.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.92 -59.55 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -53.74 -49.39 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.631 HD11 ' OE1' ' A' ' 70' ' ' GLU . 18.8 tp -50.36 -39.78 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -70.16 -45.23 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -55.18 -42.33 73.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 14.9 tp -53.8 -44.73 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.45 -22.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -81.65 -61.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.47 HG13 ' HG2' ' A' ' 62' ' ' LYS . 1.3 p -56.21 -40.04 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' HG13 ' A' ' 61' ' ' VAL . 13.6 pttt -166.36 106.55 0.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -20.88 34.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.25 -66.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmpt? -45.53 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' OE2' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.39 -61.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -43.33 -66.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.9 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.912 HG21 ' CD2' ' A' ' 95' ' ' LEU . 38.5 t -53.36 -59.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.631 ' OE1' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -43.56 -57.16 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -58.68 -40.45 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 14.5 t80 -58.33 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 94' ' ' ILE . 73.6 mt -63.12 -56.56 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 39' ' ' ARG . 52.2 mt -40.0 -57.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -50.44 -41.15 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.8 mtm -68.81 -32.48 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -69.62 -59.35 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -43.07 -58.12 2.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -55.18 -49.59 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.69 32.46 2.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.541 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -82.01 -43.91 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 77' ' ' ALA . 8.8 mt -53.82 130.4 36.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 t -94.82 -57.47 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -123.51 173.32 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -66.48 135.37 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 47' ' ' LEU . 59.5 t -76.5 134.73 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 88' ' ' GLU . 17.6 t -106.43 166.01 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 87' ' ' SER . 11.5 tt0 -37.01 -63.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -45.61 -57.54 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.09 61.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 55' ' ' LEU . 5.3 tp -51.7 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 96' ' ' LYS . 16.6 mt -35.73 -50.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 96' ' ' LYS . 18.2 mm-40 -54.82 -40.69 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.584 ' O ' HG12 ' A' ' 98' ' ' VAL . 55.1 mt -67.71 -30.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.912 ' CD2' HG21 ' A' ' 69' ' ' VAL . 81.6 mt -68.28 -21.83 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 92' ' ' ILE . 9.7 mtmt -106.05 -7.39 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -101.9 -35.19 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 94' ' ' ILE . 14.8 p -68.46 -10.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.6 p -60.13 -40.85 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.26 -52.24 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -60.34 162.64 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.2 t -107.7 -179.91 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.62 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -123.89 157.76 33.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.0 p -87.97 167.36 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.9 p -82.49 -179.7 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 t -118.01 167.0 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 p -84.46 144.74 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.9 144.18 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -135.31 116.59 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.47 ' OD1' ' CB ' ' A' ' 30' ' ' GLU . 6.5 p30 -155.21 133.1 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -75.52 146.1 40.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.51 ' HB2' HD13 ' A' ' 16' ' ' LEU . 4.6 p -118.93 111.56 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -147.13 144.92 13.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 115.67 4.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -66.2 105.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 t -61.42 131.29 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -108.12 162.43 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -94.4 -51.54 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.02 97.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -150.97 162.39 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -111.79 104.5 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.53 -179.24 41.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 97.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 54.76 41.97 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 47.54 43.41 15.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -90.17 86.73 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -100.68 130.66 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -140.63 133.18 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.89 123.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -100.43 136.4 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -120.32 119.7 33.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -133.69 135.0 43.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.66 115.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -114.65 110.84 20.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -172.58 135.21 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.788 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.93 177.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -127.54 146.84 60.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.556 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 53.8 Cg_endo -69.8 -44.24 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.38 -178.68 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' ALA . 17.5 m-20 -41.96 -47.26 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -35.52 -57.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 23' ' ' PRO . . . -86.63 -47.33 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ALA . 39.8 tt0 -35.3 -67.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 28.3 mm-40 -35.23 -39.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.2 tp10 -80.38 -55.46 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 6.3 ptmt -39.83 -32.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 5.9 t-80 -64.92 -50.38 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 37' ' ' GLU . 15.0 mmm180 -67.71 -14.77 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -85.89 -16.58 38.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.87 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -81.87 -44.37 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.416 ' CG ' ' N ' ' A' ' 39' ' ' ARG . 19.7 ptm -67.4 -49.73 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 10.2 ptm180 -54.87 -42.79 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 15.8 m-20 -53.01 -58.49 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ALA . 61.9 m -61.81 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.2 mt -40.14 -35.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.85 -40.97 88.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' SER . . . -74.12 -24.57 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.57 -30.09 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.6 m -90.55 -22.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HG ' HG23 ' A' ' 46' ' ' VAL . 89.6 mt -105.98 155.15 19.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.3 t70 -107.49 152.11 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ASP . 33.7 tt0 -34.75 -43.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -59.77 -61.0 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -56.02 -43.13 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -43.61 -45.62 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.15 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -47.61 -47.68 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.26 -64.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.8 t -41.3 -55.53 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -46.26 -52.7 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.8 tp -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.76 -39.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.88 -50.24 57.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LEU . 48.3 t -68.06 -60.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.17 90.4 45.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -19.63 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.32 -50.46 10.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -63.75 -40.43 96.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -48.77 -45.63 40.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.09 -58.11 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.919 ' CG2' HD23 ' A' ' 95' ' ' LEU . 94.1 t -45.62 -64.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' VAL . 28.2 mt-10 -36.46 -47.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.671 ' HA ' HD12 ' A' ' 74' ' ' ILE . 40.3 m-20 -73.85 -35.87 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.87 ' CD2' HG12 ' A' ' 98' ' ' VAL . 9.8 t80 -62.08 -43.2 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 HD21 ' A' ' 47' ' ' LEU . 93.3 mt -63.34 -53.36 53.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 71' ' ' ASN . 40.4 mt -43.32 -55.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.58 -43.92 62.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.97 -31.37 70.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.36 -47.65 78.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.12 -49.85 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -55.15 -35.2 64.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.67 39.4 4.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.04 -42.46 8.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -58.63 120.33 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 m -78.86 -45.17 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.84 171.31 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.54 116.59 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.51 141.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.5 t -105.09 159.83 15.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' SER . 26.1 tt0 -35.44 -55.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.91 -61.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.56 -53.96 29.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.4 tp -43.26 -58.98 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' LEU . 89.4 mt -41.64 -55.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.55 -50.36 74.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 98' ' ' VAL . 35.2 mt -46.99 -57.93 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' CG2' ' A' ' 69' ' ' VAL . 6.7 mt -37.79 -44.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -74.83 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 36.4 mttm -65.5 -52.95 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -47.36 -24.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.2 t -51.39 -37.69 49.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.29 -37.4 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -83.07 77.2 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -166.31 141.49 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.21 150.8 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.14 156.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -130.75 137.79 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 107' ' ' THR . 7.6 t -126.31 141.11 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 106' ' ' THR . 25.9 p -156.58 135.92 12.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.66 119.4 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -68.67 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -163.15 -178.87 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -75.67 163.35 27.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.38 145.88 28.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 t -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.35 83.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 145.61 57.63 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -133.22 -179.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.4 m -125.01 150.26 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -171.29 168.84 6.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -173.96 176.54 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.47 169.68 39.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -173.49 150.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 169.76 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.25 156.28 32.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.95 -74.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -171.44 121.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 4.8 mmp_? -102.32 173.79 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -172.72 127.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -170.85 119.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 mt -154.3 164.81 37.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.31 144.22 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.14 116.21 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.914 HD22 ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -71.63 169.0 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.914 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.82 160.81 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.61 -178.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -141.63 160.97 39.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -124.34 157.24 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' ASP . . . -59.0 160.26 16.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 21' ' ' GLY . 16.0 m-20 -161.85 148.9 11.43 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.7 Cg_endo -69.75 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -35.71 -44.22 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -41.32 -52.88 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.14 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.89 90.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' GLN . 2.2 tp-100 -45.06 -58.14 3.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLN . 73.5 mt-30 -37.93 -36.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -76.7 -48.21 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.93 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -56.66 -17.68 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -72.62 -46.47 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -59.49 -36.5 76.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.92 -25.37 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.68 -17.67 33.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.06 -55.27 3.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.4 ptm -50.44 -43.4 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 29.0 ptt180 -63.91 -49.94 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.491 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 3.6 t-20 -41.39 -52.28 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -62.55 -44.7 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.8 mt -59.62 -27.06 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 70' ' ' GLU . 34.4 mt -83.13 -33.23 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.15 60.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -78.98 -34.76 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 42' ' ' ILE . 21.8 m -83.25 -14.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 51.5 mt -115.69 130.53 56.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.67 163.86 25.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.88 -46.54 42.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -57.1 -56.82 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.49 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -49.95 -50.04 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.54 -52.99 33.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.42 -56.97 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 47' ' ' LEU . 59.1 tp -44.79 -36.4 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -72.91 -37.09 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 65' ' ' LYS . 18.5 tp -62.6 -31.83 72.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.08 -8.9 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.7 -62.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.0 p -53.09 -46.57 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.616 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.2 pttt -160.96 105.02 1.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.8 13.78 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.57 -33.84 23.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HD2' HD21 ' A' ' 58' ' ' LEU . 1.1 tmtp? -82.78 -41.18 19.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -58.18 -36.41 73.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -59.94 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.21 -51.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 HG11 ' A' ' 98' ' ' VAL . 25.2 t -57.23 -48.26 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 43' ' ' LEU . 11.7 mt-10 -53.01 -48.79 67.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -66.62 -40.0 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 94' ' ' ILE . 48.6 t80 -54.07 -56.15 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 47' ' ' LEU . 34.9 mt -50.41 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' ALA . 18.3 mt -35.49 -65.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -40.82 -51.5 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.644 ' CE ' HD21 ' A' ' 82' ' ' LEU . 29.5 mtm -60.07 -31.31 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -71.46 -55.62 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -47.9 -48.8 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -63.24 -48.92 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.63 40.17 1.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -92.05 -41.2 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.644 HD21 ' CE ' ' A' ' 76' ' ' MET . 17.7 mt -67.07 91.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 m -59.86 -54.26 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -125.97 165.43 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -53.76 158.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.442 HG13 ' HA3' ' A' ' 90' ' ' GLY . 84.5 t -107.27 125.77 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' GLU . 2.4 m -88.55 166.64 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE2' HD11 ' A' ' 92' ' ' ILE . 3.0 tm-20 -34.37 -54.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.25 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -42.99 -45.9 6.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.1 tp -54.22 -70.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 95' ' ' LEU . 93.7 mt -39.45 -36.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.42 -38.91 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 72' ' ' TYR . 96.0 mt -62.73 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -59.16 -19.67 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.75 -8.28 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -103.66 -46.68 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' VAL . 6.6 p -61.99 -12.96 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 p -68.45 -11.18 59.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -87.04 -53.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' THR . 11.1 pt20 41.04 42.25 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' GLN . 10.0 t 36.56 49.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.68 -55.15 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -59.05 168.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.9 p -117.43 38.45 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 54.8 m -39.43 -47.09 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.47 141.49 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.5 t -143.21 133.38 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -159.85 152.52 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.01 106.71 12.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -129.26 152.8 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -162.06 137.13 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 m -44.12 -52.51 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.62 -163.78 24.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.07 24.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m 59.09 42.01 19.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.4 t -104.34 -45.09 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -169.48 162.2 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -169.64 172.51 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 148.45 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -155.19 164.2 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -168.11 167.1 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.09 134.26 2.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.7 pp -143.91 170.74 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.4 ptm180 -148.19 120.87 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -132.05 135.13 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -130.71 114.08 14.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -115.93 -24.58 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.99 139.96 8.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -127.62 120.87 29.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 16' ' ' LEU . 1.4 pt? -128.51 176.63 7.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.71 143.21 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.712 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . . . -166.89 -179.5 4.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -121.51 -58.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -111.42 154.29 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' ASP . . . 72.11 -79.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.712 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.2 t70 -35.48 141.15 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . 54.1 Cg_endo -69.71 1.97 3.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -35.11 151.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 67.85 27.92 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' PRO . . . -89.45 -23.49 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.45 -22.78 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -54.05 -37.28 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -53.57 -32.95 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -71.35 -35.66 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.68 -55.79 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.02 -18.24 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -76.72 -22.56 53.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -62.19 -22.4 65.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.24 -17.12 47.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.83 -16.28 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -89.41 -43.76 10.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 4.3 ptp -66.18 -35.65 81.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 74' ' ' ILE . 9.3 ptp180 -70.97 -35.34 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 34.5 m-20 -78.72 -15.81 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -92.08 -48.3 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.7 mt -64.01 -19.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.06 -28.46 24.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.17 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -85.34 -36.68 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.631 HG23 ' HG ' ' A' ' 47' ' ' LEU . 28.9 m -85.27 -13.94 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -117.35 123.18 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 33.2 t70 -74.43 149.91 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' ASP . 7.4 tt0 -34.56 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' ASP . 63.4 p -65.29 -62.98 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.03 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.401 HH21 ' CD1' ' A' ' 47' ' ' LEU . 3.3 mmp_? -41.76 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -64.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -42.13 -47.02 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 91' ' ' LEU . 20.6 tp -57.28 -64.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -44.41 -45.63 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -55.14 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 66' ' ' THR . 7.8 tt -58.39 -37.59 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.05 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -79.98 -54.4 5.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 62' ' ' LYS . 5.7 p -61.85 -44.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' N ' HG13 ' A' ' 61' ' ' VAL . 3.4 pttm -164.54 115.59 0.93 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -19.17 36.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -50.39 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HB2' HD21 ' A' ' 58' ' ' LEU . 32.8 mmtt -39.41 -59.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.621 HG23 HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -41.55 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' THR . 36.8 mtmt -34.97 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 65' ' ' LYS . . . -73.89 -49.71 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.095 HG21 HD23 ' A' ' 95' ' ' LEU . 89.5 t -62.95 -51.95 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -41.52 -43.32 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.58 -43.37 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.648 ' HE2' HG23 ' A' ' 94' ' ' ILE . 15.0 t80 -57.67 -47.7 81.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.691 HD13 HD21 ' A' ' 47' ' ' LEU . 24.9 mt -61.83 -47.71 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ARG . 54.9 mt -55.08 -52.16 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 76' ' ' MET . 9.9 pt20 -61.49 -34.88 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.435 ' CE ' HD21 ' A' ' 82' ' ' LEU . 23.9 mtm -62.69 -42.5 99.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -62.46 -51.27 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -43.54 -56.49 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -52.12 -55.41 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.77 25.58 2.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.07 -45.99 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 76' ' ' MET . 12.5 mt -69.91 108.35 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -95.01 -52.26 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -104.84 164.24 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -67.24 127.87 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.38 128.01 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' GLU . 58.6 m -94.57 162.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.8 tt0 -34.52 -52.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -52.86 -59.05 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.4 -57.43 9.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD11 HD13 ' A' ' 55' ' ' LEU . 5.7 tp -46.19 -65.88 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.459 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 67.4 mt -36.08 -46.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.648 HG23 ' HE2' ' A' ' 72' ' ' TYR . 74.7 mt -58.95 -42.38 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.095 HD23 HG21 ' A' ' 69' ' ' VAL . 93.6 mt -53.13 -22.81 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -106.86 27.07 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -127.75 -46.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.49 -25.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -64.49 -58.27 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -46.68 -43.57 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.66 165.76 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.6 t -169.05 133.1 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.93 107.47 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -125.6 38.85 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.5 t -166.45 158.88 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.4 p -104.88 86.05 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.7 m -47.24 130.18 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -46.35 139.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -146.46 131.9 18.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -70.1 89.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -157.51 155.98 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 116.19 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.1 t -151.12 137.25 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 138.36 72.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.34 62.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -103.41 -61.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.7 t -103.48 112.68 25.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.38 173.01 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -145.19 174.77 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.28 -159.74 11.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -142.63 176.06 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -132.84 176.73 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.16 -149.21 6.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' N ' HH21 ' A' ' 9' ' ' ARG . 2.6 tt -130.62 150.82 51.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.479 HH21 ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -108.9 176.34 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.9 169.96 9.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -121.11 -176.11 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -85.8 177.73 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.02 174.44 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 176.14 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.33 -175.94 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.38 168.88 14.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -129.47 176.08 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.32 162.84 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.16 144.46 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -171.81 134.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.82 151.32 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.26 144.19 98.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 53.8 Cg_endo -69.77 -3.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.6 -127.68 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.837 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 23' ' ' PRO . . . -40.17 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -90.74 -40.51 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' ASP . 4.8 pt20 -65.28 -29.37 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -85.15 -24.89 27.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -80.28 -47.59 14.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.31 -43.29 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -74.19 -17.58 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -75.63 -31.79 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -62.33 -31.44 72.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.3 -20.38 65.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.21 -20.87 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -82.4 -52.51 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.0 ptm -52.27 -47.52 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 42' ' ' ILE . 39.3 ptt180 -62.38 -43.11 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -47.74 -48.93 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -69.46 -53.9 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 39' ' ' ARG . 30.0 mt -44.48 -36.87 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' VAL . 19.4 mt -74.05 -35.81 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.33 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.428 ' CD ' ' HA ' ' A' ' 42' ' ' ILE . 3.9 pt20 -69.37 -34.39 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 82' ' ' LEU . 35.2 m -84.71 -17.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 73' ' ' LEU . 75.7 mt -116.41 123.62 47.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLN . 2.1 p-10 -79.63 156.68 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ASP . 27.9 tt0 -35.11 -60.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 m -41.74 -67.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.74 -56.04 11.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.1 -60.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.95 75.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.3 tmt_? -64.8 -34.52 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.559 HD21 ' OE1' ' A' ' 70' ' ' GLU . 13.9 tp -67.72 -58.64 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -52.96 -48.49 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -43.83 -46.21 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ALA . 12.3 tp -54.81 -48.9 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.88 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' LEU . 13.0 mt -66.86 -56.46 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.03 -64.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -141.65 114.61 6.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.5 Cg_endo -69.74 -43.66 2.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' PRO . 6.2 tt0 -34.55 -54.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -59.38 -64.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -35.73 -43.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.85 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.779 HG21 HD23 ' A' ' 95' ' ' LEU . 60.4 t -53.92 -62.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' OE1' HD21 ' A' ' 55' ' ' LEU . 5.7 mm-40 -39.78 -38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -83.54 -31.09 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.655 ' CG ' HG12 ' A' ' 98' ' ' VAL . 11.6 t80 -67.5 -38.84 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.605 ' CD1' HD11 ' A' ' 47' ' ' LEU . 38.4 mt -68.18 -59.59 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' LEU . 58.5 mt -36.87 -61.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -42.16 -54.59 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.448 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 45.0 mtm -53.98 -35.35 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -68.73 -57.21 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mtp-105 -43.03 -58.37 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.03 -28.69 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.01 30.93 24.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 76' ' ' MET . 4.3 pt20 -83.71 -16.17 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 46' ' ' VAL . 30.0 mt -66.64 138.66 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -88.75 -55.88 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -157.67 170.9 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -40.39 122.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.0 132.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.4 m -98.33 162.09 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' SER . 13.7 tt0 -34.6 -60.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -46.77 -54.54 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.63 -50.2 61.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -53.37 -64.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.42 HG12 ' NE ' ' A' ' 54' ' ' ARG . 80.4 mt -36.75 -47.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.55 -40.48 83.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 97' ' ' LYS . 61.3 mt -57.31 -53.07 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.779 HD23 HG21 ' A' ' 69' ' ' VAL . 61.9 mt -38.69 -44.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.58 -36.36 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.5 mtpm? -68.91 -60.23 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.655 HG12 ' CG ' ' A' ' 72' ' ' TYR . 1.1 m -45.64 -21.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -50.55 -32.17 17.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -49.98 -41.15 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -115.21 171.31 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 103' ' ' GLU . 10.3 t -111.98 -43.09 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 102' ' ' THR . 43.2 mm-40 -153.62 178.58 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -60.79 -58.22 9.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.1 t -113.07 151.12 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.4 p -106.57 -24.29 12.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 78.2 p -53.99 141.49 27.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -132.0 105.84 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -58.68 137.39 57.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -118.64 114.3 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.49 146.26 46.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -97.56 147.34 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.7 p -65.1 175.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.06 78.94 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.91 3.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -140.04 161.41 37.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.4 m -89.52 174.42 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -168.36 165.61 12.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -171.81 176.03 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.21 -170.36 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -173.59 166.6 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -166.05 171.72 12.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.41 178.08 43.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.81 172.39 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -135.85 156.69 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -149.27 162.19 40.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -167.32 143.37 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -165.2 116.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 tp -119.04 124.89 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.74 145.54 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -133.48 135.46 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -146.51 175.39 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -66.49 153.71 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -123.62 112.13 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -142.83 152.54 42.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -119.04 177.61 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.59 -28.24 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.95 156.08 0.77 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.2 32.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.99 42.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -42.07 -42.5 2.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.09 -52.02 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.2 -50.68 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -40.15 -46.55 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 12.9 mm100 -45.46 -47.15 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -54.42 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.79 -63.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -43.25 -25.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -66.12 -49.22 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -61.42 -29.99 70.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.74 -17.77 49.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.11 -24.18 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.39 -64.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptm -46.37 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.2 ptt180 -67.07 -43.46 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 3.9 t-20 -50.39 -40.05 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -73.48 -35.72 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 39' ' ' ARG . 20.5 mt -68.05 -39.21 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 70' ' ' GLU . 48.2 mt -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.85 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' HG ' ' A' ' 47' ' ' LEU . 35.5 m -80.89 -18.71 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 73' ' ' LEU . 90.4 mt -114.15 122.92 48.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLN . 9.0 t0 -78.63 153.78 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . 35.1 tt0 -35.29 -37.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -59.71 -72.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.06 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 52' ' ' ARG . 4.7 mmm180 -46.62 -52.7 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.79 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -50.17 -40.6 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.49 -66.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -44.74 -30.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -70.24 -43.55 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 95' ' ' LEU . 2.3 tt -55.18 -29.91 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.0 -18.88 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.81 -73.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -52.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 pttt -152.62 115.14 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.0 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 11.0 pt-20 -45.43 -53.45 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.61 -44.64 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -59.54 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ALA . 40.2 mttp -45.19 -65.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -34.44 -59.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.761 HG21 HD23 ' A' ' 95' ' ' LEU . 99.7 t -48.76 -49.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HB3' HD11 ' A' ' 43' ' ' LEU . 49.2 mt-10 -52.36 -52.06 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.1 m-20 -60.32 -32.78 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -63.36 -58.24 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' CD1' HD21 ' A' ' 47' ' ' LEU . 86.7 mt -54.62 -35.27 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 71' ' ' ASN . 27.7 mt -62.34 -65.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' MET . 3.6 pt20 -46.01 -34.45 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 24.8 mtm -74.78 -43.66 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' ARG . . . -56.49 -62.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ALA . 32.0 mtp85 -37.95 -60.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -51.04 -39.32 55.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.02 52.17 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -103.01 -21.85 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.69 -73.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 m 61.19 30.95 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -169.65 -179.79 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -99.9 104.84 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.18 139.36 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -94.22 150.79 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -45.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -46.18 75.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.77 -50.84 60.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 54' ' ' ARG . 6.0 tp -51.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' LEU . 32.3 mt -34.75 -49.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -66.4 -51.65 54.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.71 -41.34 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 69' ' ' VAL . 59.7 mt -49.74 -44.56 48.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.37 23.36 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -118.36 -45.51 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 69' ' ' VAL . 7.5 p -60.95 -26.67 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -57.31 -51.43 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.11 -46.52 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -48.39 140.02 8.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -43.79 153.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -142.94 140.0 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.05 150.57 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.8 t -107.65 163.2 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.4 p -152.01 -176.11 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.1 t -96.8 139.23 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.81 142.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -99.78 -29.28 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -170.2 159.76 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -126.66 128.87 47.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -104.63 143.15 33.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.3 m -105.24 127.57 53.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.57 168.11 13.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.89 49.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.0 p -72.94 -49.53 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -48.93 -50.12 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -141.29 177.71 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -131.8 177.28 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.46 -59.32 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 68.07 42.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -52.88 177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -120.16 -163.6 12.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 7' ' ' GLY . 4.5 mp -148.26 178.94 8.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.97 173.13 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -139.45 168.7 19.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -105.69 174.98 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -149.51 178.16 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 13' ' ' LEU . 2.6 pt? -105.35 168.58 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.66 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -77.77 148.32 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 37.6 mt -157.0 122.06 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -113.81 177.99 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.4 170.88 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -174.06 145.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -40.43 133.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.63 93.74 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.54 151.72 64.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.8 Cg_endo -69.69 1.55 4.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -33.47 -47.9 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.31 -57.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -46.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.28 -57.67 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -42.55 -57.47 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -48.29 -34.98 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.79 -41.69 36.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' HIS . . . -64.69 -61.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -40.84 -26.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 37' ' ' GLU . 84.4 t60 -92.02 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 34' ' ' ARG . 5.4 mmm180 -50.05 -59.31 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -46.59 -30.66 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -91.58 -20.17 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 13.2 mm-40 -77.72 -33.87 52.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 42' ' ' ILE . 10.7 ptm -79.36 -47.02 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 36' ' ' ALA . 29.4 ptt180 -58.41 -33.67 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -84.19 -18.68 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -80.22 -55.82 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 38' ' ' MET . 4.9 mp -62.96 -27.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 46' ' ' VAL . 35.3 mt -82.55 -31.3 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.43 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -83.82 -33.7 24.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 82' ' ' LEU . 35.3 m -85.98 -15.82 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 73' ' ' LEU . 98.1 mt -115.15 117.51 30.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.28 164.06 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -40.87 -34.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -64.47 -70.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.37 -52.88 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.2 mmp_? -36.84 -50.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.35 -54.53 31.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -48.66 -43.32 36.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -64.35 -61.59 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t -40.36 -45.13 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -55.46 -46.61 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.6 -31.97 64.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -56.68 -22.5 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.47 -74.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' LYS . 7.6 p -44.0 -48.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . 1.4 pttt -160.86 105.01 1.28 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' THR . 54.3 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.47 -53.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.39 -39.32 90.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' PRO . 1.7 m -61.01 -44.18 97.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -55.15 -52.58 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.54 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 95' ' ' LEU . 88.1 t -58.84 -58.12 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -47.01 -39.01 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.55 -27.37 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 94' ' ' ILE . 40.3 t80 -72.62 -42.79 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 47' ' ' LEU . 44.8 mt -66.82 -41.19 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.8 mt -58.81 -48.81 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' MET . 7.6 pt20 -63.96 -35.12 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 33.8 mtm -69.99 -40.03 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 42' ' ' ILE . . . -63.94 -59.19 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -47.62 -46.61 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.09 -47.58 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 42.16 1.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -96.59 -27.74 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 46' ' ' VAL . 5.3 mp -73.39 150.02 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -117.66 -49.88 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -132.02 178.28 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -66.6 127.33 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.14 128.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLU . 89.8 p -99.36 164.33 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.6 tt0 -34.66 -61.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.05 -50.65 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.98 -51.86 55.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.9 tp -46.41 -65.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 95' ' ' LEU . 83.0 mt -38.4 -45.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -37.6 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.8 mt -65.36 -37.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 69' ' ' VAL . 52.6 mt -56.7 -21.46 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.63 -11.25 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -94.04 -34.94 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.68 -19.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -56.93 -36.76 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -53.79 -39.04 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.71 -55.07 36.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t 37.49 39.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 2.5 mp0 64.63 50.9 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -65.04 -45.55 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' THR . 57.7 p 39.32 40.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' THR . 48.6 p -35.94 139.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 47.9 p -70.87 106.52 3.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 m -140.81 170.28 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -171.82 136.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.445 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 27.8 m-85 -114.87 136.27 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -101.27 134.1 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -167.94 134.62 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.9 m -124.99 166.44 16.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.16 157.0 22.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.48 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.9 m -42.73 142.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.3 160.92 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -165.02 108.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -164.09 150.89 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -176.83 2.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -111.5 -60.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 p -168.96 170.65 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -135.33 -163.5 10.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.553 HD12 ' C ' ' A' ' 7' ' ' GLY . 5.6 mp -148.97 112.4 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -106.83 75.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.83 128.86 55.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -132.81 167.26 20.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -111.58 110.44 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 tp -146.45 152.45 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . -164.99 175.64 9.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 4.11 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.653 HD23 ' HB1' ' A' ' 14' ' ' ALA . 3.7 mm? -41.48 115.37 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -139.94 127.34 21.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.39 160.78 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -99.38 135.11 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -73.28 -56.38 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.7 50.63 29.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.16 154.26 67.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -14.56 36.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.02 -54.19 3.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' OE1' ' A' ' 29' ' ' GLN . 1.4 p30 -43.0 -49.79 5.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.96 -38.41 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.52 96.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -64.5 -48.15 76.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' OE1' ' C ' ' A' ' 25' ' ' ASP . 7.1 mp0 -61.39 -51.38 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -40.27 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.33 -69.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -42.17 -30.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -57.74 -50.07 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.9 mmm-85 -52.72 -43.89 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -46.75 -35.41 6.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.25 -25.14 46.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.7 mt-10 -77.17 -54.5 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.8 ptm -57.14 -52.12 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HA ' HD12 ' A' ' 42' ' ' ILE . 17.8 ptt180 -55.56 -43.25 75.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 31.7 m-20 -49.91 -54.86 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 m -61.25 -30.94 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 46' ' ' VAL . 36.8 mt -72.51 -37.17 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.513 ' HA ' HG22 ' A' ' 46' ' ' VAL . 40.8 mt -79.03 -27.86 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -82.89 -38.31 23.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' HG ' ' A' ' 47' ' ' LEU . 30.7 m -80.36 -16.66 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -120.6 124.34 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.62 166.01 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -49.07 -40.91 33.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -59.85 -66.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -49.7 -51.76 36.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.73 HH21 HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.16 -55.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.07 -51.84 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -50.46 -47.49 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD23 HH21 ' A' ' 52' ' ' ARG . 18.5 tp -60.05 -58.5 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 t -51.09 -37.17 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -58.06 -35.66 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.2 tp -74.54 -24.49 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.18 59.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.46 -69.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' H ' ' A' ' 62' ' ' LYS . 2.5 m -45.42 -57.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' H ' HG23 ' A' ' 61' ' ' VAL . 6.1 pttt -149.0 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -33.76 15.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -43.12 -72.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 69' ' ' VAL . 21.4 mmtm -42.96 -45.18 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.31 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -54.65 -63.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.5 -61.45 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 95' ' ' LEU . 80.4 t -41.18 -53.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -47.19 -52.36 15.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.8 t30 -61.77 -22.03 65.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 10.7 t80 -80.73 -53.67 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.998 HD13 HD21 ' A' ' 47' ' ' LEU . 51.6 mt -57.24 -13.6 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 71' ' ' ASN . 84.5 mt -85.67 -55.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 6.9 pt20 -46.92 -42.76 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.819 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.45 -40.51 96.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -61.41 -49.65 76.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -56.13 -47.35 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 12.3 m-85 -57.8 -38.68 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 29.57 8.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -88.83 -30.91 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD21 ' SD ' ' A' ' 76' ' ' MET . 10.6 mt -61.19 115.22 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -76.97 -50.44 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.96 172.29 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -46.81 128.19 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 124.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -81.9 158.5 23.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.51 ' OE2' HD11 ' A' ' 92' ' ' ILE . 7.0 tm-20 -39.29 -55.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -51.03 -57.4 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.35 -48.56 40.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 47' ' ' LEU . 6.1 tp -55.38 -56.72 16.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.51 HD11 ' OE2' ' A' ' 88' ' ' GLU . 96.0 mt -43.8 -42.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -62.94 -55.28 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.9 -47.74 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 69' ' ' VAL . 10.7 mt -43.73 -37.21 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 37.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -133.15 -38.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.2 p -62.21 -34.26 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 -43.95 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -45.44 -41.88 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.02 123.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -53.33 129.24 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -124.19 43.45 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -39.37 -34.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 105' ' ' THR . 8.0 t -161.57 124.23 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.0 p -62.16 158.91 15.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 108' ' ' VAL . 8.5 t -54.78 -44.09 73.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 107' ' ' THR . 35.4 m -145.54 140.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -94.64 -52.57 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -115.0 121.25 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -81.38 87.81 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.9 142.08 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -141.36 147.51 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.58 84.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.436 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.46 4.54 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.8 p -159.25 178.22 10.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 t -80.1 150.33 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -155.43 151.16 27.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -62.78 97.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.88 110.15 1.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -93.98 136.81 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -159.72 164.4 33.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.588 ' C ' HD13 ' A' ' 8' ' ' LEU . . . -151.35 173.83 30.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.869 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -133.87 66.71 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 54.68 34.71 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -153.18 139.61 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 12' ' ' ARG . 51.2 mm-40 -109.92 166.11 11.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.657 ' H ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -114.56 174.5 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 13' ' ' LEU . 2.2 pt? -173.03 165.23 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.79 153.6 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.09 159.52 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 mt -118.54 94.86 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 18' ' ' ALA . 3.6 pm0 -59.31 -35.97 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -172.02 149.25 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -91.44 94.75 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.66 49.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 51.44 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.54 161.27 23.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 24' ' ' GLY . 54.0 Cg_endo -69.72 1.46 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -35.12 -49.18 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -37.94 -52.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.875 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.28 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -80.48 -50.32 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -41.68 -55.11 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -49.84 -34.74 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.8 -44.29 41.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.35 -58.75 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 27.2 pttt -47.37 -32.71 5.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 24.4 t-80 -61.74 -52.43 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 37' ' ' GLU . 7.5 mmt180 -45.12 -49.57 11.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 59.8 tt0 -39.59 -35.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.15 -35.61 28.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 -63.51 -51.81 63.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' HD12 ' A' ' 42' ' ' ILE . 18.8 ptm -54.92 -46.39 74.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASN . 24.9 mtp180 -63.41 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ARG . 91.9 m-20 -34.43 -60.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -49.57 -62.03 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.7 mt -45.22 -38.78 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.32 -25.29 54.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -82.56 -32.13 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 42' ' ' ILE . 29.4 m -86.41 -30.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 73' ' ' LEU . 65.6 mt -93.49 160.32 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -117.22 162.81 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -40.82 -37.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 m -62.51 -63.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -53.93 -50.7 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.36 -56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.31 -64.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -45.81 -55.57 6.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 tp -49.87 -52.03 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.2 m -52.64 -59.91 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -54.04 -40.31 66.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.451 HD21 ' HD2' ' A' ' 62' ' ' LYS . 3.5 tt -59.35 -24.64 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.67 -26.02 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.22 -55.92 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 62' ' ' LYS . 3.3 p -65.01 -54.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG3' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -135.03 87.64 28.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -50.25 -26.86 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -80.05 -53.75 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -58.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 33.6 mttp -42.72 -66.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -36.41 -51.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.039 HG22 HG11 ' A' ' 98' ' ' VAL . 96.3 t -54.57 -50.78 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.6 -52.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.496 ' HA ' HD12 ' A' ' 74' ' ' ILE . 50.8 t30 -57.61 -42.12 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -55.37 -39.67 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.7 HD11 HD21 ' A' ' 47' ' ' LEU . 51.1 mt -69.74 -54.44 13.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 71' ' ' ASN . 68.5 mt -42.02 -57.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -46.9 -52.1 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.1 mtm -56.08 -39.01 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -57.24 -63.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -46.17 -47.31 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -55.48 -40.44 71.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.1 50.38 2.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -110.05 -40.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 86' ' ' VAL . 14.7 mt -64.38 92.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -62.42 -48.56 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.98 164.32 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -56.69 119.29 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 82' ' ' LEU . 64.3 t -53.21 129.2 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.3 t -97.58 164.38 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.4 tt0 -34.39 -56.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.56 -58.26 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.46 -50.32 48.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.5 tp -51.28 -61.58 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.762 HG22 ' NZ ' ' A' ' 96' ' ' LYS . 38.6 mt -39.19 -41.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.85 -58.33 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' HG12 ' A' ' 98' ' ' VAL . 84.9 mt -48.0 -38.98 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -51.16 -33.67 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.762 ' NZ ' HG22 ' A' ' 92' ' ' ILE . 2.9 mppt? -79.13 -19.38 51.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.487 ' HE3' ' CB ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 -52.65 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 1.039 HG11 HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -50.3 -37.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t -40.62 -44.38 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 102' ' ' THR . 13.9 mm-40 -44.99 -46.42 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 50.41 39.51 20.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 100' ' ' GLN . 1.6 t -151.87 123.88 8.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 104' ' ' LYS . 14.2 tt0 -141.18 173.1 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' THR . 69.6 mttt -35.12 128.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' LYS . 9.6 t -34.19 143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 106' ' ' THR . 8.9 t -151.33 123.92 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' VAL . 6.8 t -65.72 147.36 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' THR . 99.8 t -36.59 -62.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -73.99 178.63 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -115.73 -45.22 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -174.12 156.42 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -101.44 108.19 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.2 t -174.3 118.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -152.59 67.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.62 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.0 p 40.75 41.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.9 t -123.74 145.57 48.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -169.34 156.38 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -164.46 177.36 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.95 -134.29 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 p -172.46 151.11 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -107.91 174.6 5.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.84 -150.72 27.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 tp -161.5 144.88 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -72.7 138.3 46.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -127.16 167.99 15.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -154.34 124.93 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 13' ' ' LEU . 11.9 mtp180 -147.89 123.43 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 12' ' ' ARG . 92.2 mt -154.27 151.6 29.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.26 151.89 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -49.73 145.36 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -114.96 145.4 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -130.4 117.61 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.74 174.1 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -89.93 168.82 11.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.93 -43.99 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.64 125.23 6.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.6 152.49 5.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 2.23 3.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.06 -44.53 2.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -40.75 -57.03 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.1 -42.04 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.48 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -44.94 -52.36 8.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -63.8 -33.36 75.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.38 -40.34 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -60.18 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 9.2 ptmm? -53.95 -43.47 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 6.8 t-80 -49.18 -57.69 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLU . 17.4 mmm180 -48.41 -48.03 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -43.35 -35.48 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.42 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 5.7 mm-40 -72.94 -39.73 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 42' ' ' ILE . 1.5 mtm -68.48 -51.48 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -55.03 -39.35 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -59.29 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -65.3 -56.01 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 46' ' ' VAL . 19.6 mt -44.28 -28.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 74' ' ' ILE . 28.4 mt -83.16 -36.14 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -30.56 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -76.43 -36.52 57.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.5 m -83.32 -15.78 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 91' ' ' LEU . 21.2 mt -113.43 113.06 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 t0 -67.75 150.88 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ASP . 22.4 tt0 -37.0 -37.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -63.97 -68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -52.27 -43.51 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -41.35 -57.73 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -46.54 -69.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 8.9 tpt180 -36.61 -64.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.785 HD21 ' CG ' ' A' ' 70' ' ' GLU . 15.8 tp -37.61 -40.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -69.05 -43.65 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -56.04 -42.42 76.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.687 HD11 ' NZ ' ' A' ' 62' ' ' LYS . 12.4 tp -62.62 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -94.26 -60.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 62' ' ' LYS . 4.9 p -61.75 -40.34 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.687 ' NZ ' HD11 ' A' ' 58' ' ' LEU . 4.5 pttp -166.12 105.0 0.7 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.8 Cg_endo -69.79 -37.38 9.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' PRO . 28.9 tt0 -37.61 -65.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.3 mmmt -50.0 -53.41 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -43.73 -54.53 5.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -49.47 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.47 -57.69 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.556 HG21 ' HG ' ' A' ' 95' ' ' LEU . 47.6 t -51.35 -45.85 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.785 ' CG ' HD21 ' A' ' 55' ' ' LEU . 28.2 mt-10 -60.2 -52.23 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -64.81 -25.97 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -66.58 -39.67 88.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 94' ' ' ILE . 52.2 mt -71.77 -51.03 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 43' ' ' LEU . 91.1 mt -40.76 -60.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -48.6 -55.35 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.4 mtm -53.77 -39.02 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -59.4 -51.35 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -47.69 -53.6 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -63.26 -28.13 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.98 37.5 7.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -84.46 -37.69 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 46' ' ' VAL . 4.9 mp -53.92 116.11 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 m -67.57 -49.11 64.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.31 163.62 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -38.01 137.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.27 135.76 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 88' ' ' GLU . 90.7 p -102.41 160.35 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 87' ' ' SER . 31.2 tt0 -36.55 -45.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -56.29 -68.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.04 -57.22 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.732 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.4 tp -40.09 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.593 ' HA ' HD13 ' A' ' 95' ' ' LEU . 61.6 mt -39.96 -44.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.44 -33.59 75.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 73' ' ' LEU . 53.4 mt -62.11 -50.4 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -49.71 -35.8 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -83.66 20.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -129.15 -42.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.503 HG11 HG22 ' A' ' 69' ' ' VAL . 3.0 p -60.52 -26.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.0 t -91.91 -57.32 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' A' ' 102' ' ' THR . 1.7 tp-100 -53.03 -51.85 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 49.28 32.22 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.507 HG22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 t -165.07 178.97 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -127.78 35.3 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -89.92 -49.14 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.3 t -129.97 146.95 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -85.66 -55.0 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.0 t -165.08 141.19 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -142.47 117.12 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -137.38 138.25 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -120.59 124.28 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.89 165.75 11.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -157.39 119.7 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.5 m -137.77 158.78 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.89 72.82 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -35.8 11.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.275 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 m -45.6 110.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 m -120.94 -62.46 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.805 0.336 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.3 ptm -64.75 -47.61 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.5 ptm180 -55.37 -45.99 76.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -51.28 -57.99 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -56.64 -25.93 54.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.6 mt -78.77 -35.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' A' ' 70' ' ' GLU . 51.7 mt -80.88 -32.28 34.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.54 -22.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 20.7 pt20 -88.37 -33.82 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.742 HG23 ' HG ' ' A' ' 47' ' ' LEU . 27.6 m -88.13 -18.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.05 HD21 HD13 ' A' ' 73' ' ' LEU . 11.9 mt -115.99 114.56 24.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -66.07 156.5 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -42.89 -31.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -69.63 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.52 -35.52 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -57.08 -57.63 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -54.18 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 66' ' ' THR . 7.3 tp -55.32 -71.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' LEU . 42.8 t -37.28 -52.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -45.93 -42.45 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.576 HD23 ' OG1' ' A' ' 66' ' ' THR . 5.6 tp -73.06 -46.85 49.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.63 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LEU . 72.4 mt -68.93 -64.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.08 -40.2 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -126.87 82.36 67.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.16 2.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.37 -50.68 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HZ1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.38 -66.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.634 HG23 ' CD1' ' A' ' 55' ' ' LEU . 89.4 m -48.29 -42.54 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -46.48 -58.2 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 67' ' ' LYS . . . -51.0 -39.62 56.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG21 HD23 ' A' ' 95' ' ' LEU . 37.8 t -61.39 -41.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.429 ' CD ' HD13 ' A' ' 43' ' ' LEU . 4.9 mm-40 -53.0 -47.88 67.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.33 -38.47 91.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.12 -51.6 67.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.05 HD13 HD21 ' A' ' 47' ' ' LEU . 43.5 mt -57.76 -42.58 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.1 -57.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' MET . 12.4 pt20 -57.05 -37.15 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 22.3 mtm -61.08 -37.95 84.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.53 -62.22 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -46.71 -55.48 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -51.42 -64.4 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 35.2 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -91.69 -40.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.76 108.29 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -72.4 -67.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -126.33 171.8 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -45.55 121.37 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.33 150.19 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.3 m -114.44 162.84 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.3 tt0 -35.4 -65.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -39.9 -58.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.28 -61.88 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 47' ' ' LEU . 5.3 tp -44.23 -61.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.54 -44.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.97 -36.35 83.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.7 mm -56.57 -45.83 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.977 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -46.42 -40.42 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -92.23 29.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.81 -46.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 69' ' ' VAL . 4.7 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.855 0.36 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 ptm -71.26 -51.9 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.0 ptm180 -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -54.5 -56.87 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -54.1 -52.12 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 39' ' ' ARG . 16.3 mt -51.47 -58.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.03 -56.89 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.81 -36.1 57.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.02 -39.33 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.582 ' HB ' HD13 ' A' ' 82' ' ' LEU . 26.6 m -92.25 12.9 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 91' ' ' LEU . 66.8 mt -128.51 106.64 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.33 156.95 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -44.12 -42.27 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -57.9 -62.86 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -50.94 -51.73 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 17.2 mmm180 -36.06 -60.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.24 -51.49 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt-85 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' A' ' 70' ' ' GLU . 13.6 tp -41.01 -58.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 19.8 t -53.61 -54.43 37.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.66 -49.9 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.476 HD23 ' OG1' ' A' ' 66' ' ' THR . 3.6 tp -54.0 -46.59 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -36.17 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' LEU . 33.8 mt -69.8 -53.61 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.57 -64.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.82 97.69 13.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -28.59 24.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -69.62 -42.92 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -64.72 -45.01 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.476 ' OG1' HD23 ' A' ' 58' ' ' LEU . 10.3 m -59.0 -42.1 89.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -53.59 -53.54 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.76 -51.45 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.01 HG21 HD23 ' A' ' 95' ' ' LEU . 56.8 t -52.49 -47.2 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' A' ' 55' ' ' LEU . 6.3 mm-40 -49.47 -37.06 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 74' ' ' ILE . 36.6 t30 -78.01 -33.59 51.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.06 -47.79 76.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.32 -52.23 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 71' ' ' ASN . 34.5 mt -42.76 -63.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -42.47 -53.27 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.62 ' CE ' HD21 ' A' ' 82' ' ' LEU . 31.5 mtm -57.02 -40.26 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.71 -60.89 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -47.15 -51.04 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.31 -64.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.03 45.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -97.57 -51.69 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD21 ' CE ' ' A' ' 76' ' ' MET . 26.6 mt -53.21 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.6 p -49.06 -44.69 42.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -152.64 169.98 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -39.31 137.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 82' ' ' LEU . 99.1 t -80.09 126.01 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.9 t -90.69 154.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.5 tt0 -34.82 -52.56 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -49.06 -55.53 11.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.15 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 47' ' ' LEU . 5.1 tp -48.7 -65.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' LEU . 97.4 mt -34.14 -52.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.03 -51.51 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.9 mt -44.66 -46.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.01 HD23 HG21 ' A' ' 69' ' ' VAL . 48.3 mt -52.12 -34.85 46.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 22.22 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.9 -50.48 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 69' ' ' VAL . 7.7 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.5 ptm -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HG2' HD13 ' A' ' 74' ' ' ILE . 44.1 mtt180 -57.63 -44.49 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.25 -51.76 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.9 m -56.81 -41.96 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 46' ' ' VAL . 32.1 mt -67.74 -26.92 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 70' ' ' GLU . 23.0 mt -78.8 -39.64 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.471 HE21 HG23 ' A' ' 42' ' ' ILE . 15.6 pt20 -66.26 -32.53 74.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 42' ' ' ILE . 35.0 m -90.18 -14.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 91' ' ' LEU . 73.2 mt -115.79 123.84 49.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLN . 15.7 t70 -78.49 150.6 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ASP . 44.3 tt0 -34.51 -45.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -60.19 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.21 -58.28 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -34.85 -62.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.65 -58.06 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -48.84 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.42 -62.57 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.3 t -45.11 -47.94 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.95 -48.2 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.558 HD22 HD22 ' A' ' 95' ' ' LEU . 4.3 tp -61.25 -26.95 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -47.79 -29.38 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -73.9 -68.8 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 62' ' ' LYS . 4.2 m -54.68 -50.45 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 61' ' ' VAL . 22.1 mttt -127.78 82.75 67.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -19.65 36.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.79 -45.51 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HE2' HG13 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -62.25 -44.57 96.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -54.36 -43.02 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -54.0 -56.05 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.43 -55.34 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.08 HG21 HD23 ' A' ' 95' ' ' LEU . 65.6 t -46.15 -56.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.556 ' HB3' HD11 ' A' ' 43' ' ' LEU . 62.3 mt-10 -46.23 -45.56 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.04 -29.65 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -72.81 -46.93 50.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 94' ' ' ILE . 96.7 mt -62.02 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.46 HD13 ' HG2' ' A' ' 39' ' ' ARG . 23.0 mt -56.11 -56.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' MET . 4.6 pt20 -55.86 -35.02 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 23.0 mtm -67.6 -37.77 83.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.68 -49.91 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.75 -52.48 65.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -54.65 -54.08 46.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.84 0.85 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -89.27 -45.75 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.95 126.84 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -95.09 -46.86 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.42 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -59.0 111.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.1 137.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLU . 21.9 p -103.83 164.61 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -34.78 -64.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -63.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.34 -49.54 19.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 47' ' ' LEU . 6.4 tp -57.23 -66.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 50.3 mt -36.69 -35.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.86 -45.47 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 66.9 mt -55.6 -43.63 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.08 HD23 HG21 ' A' ' 69' ' ' VAL . 21.4 mt -54.21 -27.59 35.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.7 22.67 9.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -123.8 -50.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.665 HG13 ' HE2' ' A' ' 65' ' ' LYS . 11.6 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.361 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' ILE . 14.8 ptm -64.31 -37.59 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.38 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -59.48 -48.3 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -63.35 -63.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.8 mt -43.91 -38.99 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.7 -44.89 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.45 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 85' ' ' LYS . 25.7 mt-30 -77.58 -24.79 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 42' ' ' ILE . 22.1 m -96.9 -15.89 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.02 156.89 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -112.07 162.11 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -42.09 -35.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -62.03 -71.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.9 -48.83 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -37.83 -50.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.01 -63.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -46.56 -49.09 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.13 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 2.7 t -45.95 -47.41 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.9 t30 -51.13 -46.4 61.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.7 tp -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -64.05 -9.55 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 57' ' ' ASN . 9.1 mt -97.92 -69.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.23 -37.04 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 19.9 pttt -169.28 105.0 0.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.5 Cg_endo -69.75 -38.02 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' PRO . 22.1 tt0 -37.77 -69.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.11 -47.5 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -49.88 -48.84 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -50.2 -60.5 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.64 -54.32 7.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 95' ' ' LEU . 57.4 t -53.99 -61.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -40.26 -40.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.523 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.6 t-20 -72.04 -43.16 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -49.43 -53.34 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.5 HD21 HD13 ' A' ' 94' ' ' ILE . 35.4 mt -58.08 -51.48 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 71' ' ' ASN . 88.1 mt -43.98 -60.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 43.0 mt-30 -49.26 -50.06 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.493 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.4 mtm -54.78 -32.32 59.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ILE . . . -63.23 -68.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 2.8 m-85 -64.78 -39.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.54 33.34 5.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -92.65 -21.34 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD21 ' CE ' ' A' ' 76' ' ' MET . 9.3 mt -88.79 133.01 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.7 m -111.1 -42.76 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -123.29 168.88 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 45' ' ' GLN . 36.0 mttm -71.79 114.43 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.89 125.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' GLU . 60.6 p -99.2 171.12 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' SER . 9.6 tt0 -36.25 -59.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -45.55 -65.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.01 -54.8 9.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -49.89 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 58.1 mt -35.43 -37.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -43.96 38.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.5 HD13 HD21 ' A' ' 73' ' ' LEU . 65.6 mt -51.5 -42.2 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 69' ' ' VAL . 37.3 mt -56.81 -33.96 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -72.23 -3.83 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -102.02 -53.21 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 69' ' ' VAL . 1.9 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.808 0.337 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 5.7 ptp -67.57 -36.44 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 38' ' ' MET . 94.4 mtt180 -68.05 -39.69 82.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -57.92 -46.83 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -65.81 -49.42 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 15.5 mt -58.35 -32.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 70' ' ' GLU . 20.3 mt -75.72 -32.75 60.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.29 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -70.72 -35.68 72.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 77' ' ' ALA . 35.6 m -80.86 -21.08 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 55' ' ' LEU . 21.7 mt -117.18 117.66 30.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 49' ' ' GLN . 13.3 t70 -70.39 167.59 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 1.9 tt0 -48.97 -43.29 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 m -55.2 -52.32 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -65.2 -48.4 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -41.48 -46.66 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -63.11 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -49.07 -56.35 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 47' ' ' LEU . 35.4 tp -41.9 -38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -69.94 -42.33 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -51.94 -41.37 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.14 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.16 -11.48 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -93.94 -63.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 p -55.34 -38.89 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 4.0 pttm -171.91 104.97 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.9 Cg_endo -69.75 -43.04 2.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.6 tt0 -34.66 -54.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.56 -49.95 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 67' ' ' LYS . 7.9 m -52.05 -54.66 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' THR . 24.8 mtpt -36.72 -62.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.05 -66.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 95' ' ' LEU . 61.0 t -41.01 -60.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.2 mt-10 -39.67 -49.33 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 74' ' ' ILE . 16.7 m-80 -71.94 -35.45 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.74 ' HE2' HG23 ' A' ' 94' ' ' ILE . 5.3 t80 -57.86 -38.09 75.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 94' ' ' ILE . 64.6 mt -72.09 -47.44 51.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 71' ' ' ASN . 44.6 mt -49.63 -48.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.59 -38.63 85.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.9 mtm -72.63 -31.92 65.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -39.54 -62.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -53.0 -50.7 63.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.24 37.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.37 -45.03 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.01 104.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.4 p -45.91 -65.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -150.3 172.98 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -39.43 121.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.7 t -78.88 122.47 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 53.2 p -89.39 168.8 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.0 tt0 -36.51 -61.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.11 -49.57 63.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.92 -31.97 69.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.6 tp -67.48 -64.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -37.48 -37.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.5 -43.65 98.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 73' ' ' LEU . 27.5 mt -54.97 -48.71 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 69' ' ' VAL . 21.5 mt -54.07 -34.53 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -69.21 -18.69 63.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -95.37 -45.49 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.486 ' CG2' ' CD2' ' A' ' 72' ' ' TYR . 42.8 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.888 0.375 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.614 ' O ' HD12 ' A' ' 42' ' ' ILE . 9.6 ptp -67.56 -35.41 78.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 38' ' ' MET . 2.2 ptm85 -73.48 -32.08 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -85.6 -27.17 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m -82.81 -43.09 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 38' ' ' MET . 22.8 mt -66.75 -30.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' VAL . 74.5 mt -81.25 -29.94 34.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -26.97 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.13 -36.12 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.59 HG23 ' HG ' ' A' ' 47' ' ' LEU . 34.4 m -81.36 -20.37 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.59 ' HG ' HG23 ' A' ' 46' ' ' VAL . 52.3 mt -109.36 123.37 49.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 175.17 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -59.51 -50.76 72.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.3 m -49.79 -56.2 11.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -58.97 -51.87 68.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.7 mmm-85 -35.71 -53.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.58 86.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -59.74 -52.25 66.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.31 -49.16 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -56.63 -49.28 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.71 -30.83 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 65' ' ' LYS . 14.6 tp -76.12 -27.52 57.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.0 -6.77 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.05 -65.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.81 -38.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 pttm -170.68 104.97 0.41 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.0 Cg_endo -69.76 -46.19 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.0 pt-20 -35.27 -43.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 4.1 tppp? -67.86 -50.65 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -59.3 -32.73 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -55.9 -47.61 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.32 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.021 HG21 HD23 ' A' ' 95' ' ' LEU . 30.1 t -51.18 -64.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.7 mt-10 -34.8 -39.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.81 -41.32 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' VAL . 51.2 t80 -57.8 -43.17 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . 23.7 mt -62.71 -59.99 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' LEU . 63.2 mt -36.9 -51.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.4 -47.28 76.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 mtm -61.63 -30.63 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.83 -57.11 4.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -43.56 -48.62 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.36 -16.78 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 69.95 27.92 72.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.61 -14.65 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.44 122.49 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 t -60.87 -58.12 9.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.08 171.53 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -40.42 117.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.18 126.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLU . 96.8 p -101.27 169.85 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.11 -62.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -42.26 -65.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.07 -57.61 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -45.2 -64.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 96' ' ' LYS . 35.0 mt -40.55 -40.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -69.25 -34.22 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.692 ' O ' HG12 ' A' ' 98' ' ' VAL . 46.2 mt -67.47 -36.39 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 69' ' ' VAL . 17.2 mt -67.8 -11.94 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 92' ' ' ILE . 46.7 mttt -103.82 -14.67 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -101.06 -34.05 9.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.961 HG11 HG22 ' A' ' 69' ' ' VAL . 14.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.576 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.1 ptp -86.52 -36.8 18.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.475 ' N ' ' HG3' ' A' ' 38' ' ' MET . 0.2 OUTLIER -72.92 -25.31 61.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -82.46 -26.8 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 m -87.84 -37.44 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 38' ' ' MET . 20.0 mt -72.71 -29.19 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 70' ' ' GLU . 32.9 mt -79.33 -31.66 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.99 -35.8 64.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.28 -35.82 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 77' ' ' ALA . 31.6 m -82.64 -15.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -115.37 119.73 37.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.39 164.91 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -46.38 -56.62 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.2 m -45.32 -50.26 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -63.1 -52.08 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.9 mmm180 -37.84 -51.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.94 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -61.13 -52.91 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.12 -53.8 19.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -51.36 -36.33 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 65' ' ' LYS . 9.9 tp -74.19 -26.41 60.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -3.18 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.53 -68.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.4 p -51.4 -34.44 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG2' HG22 ' A' ' 61' ' ' VAL . 3.7 pttm -169.77 104.96 0.45 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -41.27 4.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.62 -61.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HG2' HD21 ' A' ' 58' ' ' LEU . 1.1 ttmp? -52.81 -38.09 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -70.58 -31.54 68.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.41 -49.03 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.065 HG21 HD23 ' A' ' 95' ' ' LEU . 83.1 t -42.77 -56.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 43' ' ' LEU . 14.9 mt-10 -46.23 -52.24 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -71.17 -19.87 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.505 ' HE2' HG23 ' A' ' 94' ' ' ILE . 16.7 t80 -77.59 -35.53 52.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 47' ' ' LEU . 28.3 mt -73.4 -47.88 38.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -47.5 -55.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.18 -49.08 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.1 mtm -62.09 -36.94 83.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -65.51 -49.51 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -53.45 -54.72 32.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -55.13 -54.19 46.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.33 30.71 1.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.8 -51.79 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 77' ' ' ALA . 9.1 mt -48.62 110.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -70.67 -68.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -117.38 -177.37 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -68.48 120.83 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.32 117.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' GLU . 64.5 p -90.95 172.27 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.04 -62.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.56 -50.7 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.63 -51.35 59.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.7 tp -52.51 -55.39 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.6 mt -47.15 -38.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -65.57 -40.15 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 72' ' ' TYR . 38.3 mt -62.07 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.065 HD23 HG21 ' A' ' 69' ' ' VAL . 15.5 mt -63.92 -16.85 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -89.62 -28.08 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -34.84 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.0 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.877 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 ptm -74.89 -52.58 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.5 -32.08 73.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -61.57 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.3 m -74.52 -45.38 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.3 -21.75 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 74' ' ' ILE . 13.9 mt -80.46 -38.79 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.84 -41.17 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' VAL . 12.9 pt20 -63.32 -35.98 82.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.9 m -87.21 -17.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 46' ' ' VAL . 82.0 mt -107.99 170.01 8.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 11.9 t0 -128.24 158.66 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp60 -38.05 -43.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -56.3 -71.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -47.47 -53.23 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ALA . 48.8 mmm-85 -35.51 -43.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 -60.7 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -53.6 -55.97 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.58 -54.2 24.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 m -57.26 -39.67 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.43 -32.44 70.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.7 -26.51 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -5.8 12.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -98.94 -65.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.752 HG13 ' HG2' ' A' ' 62' ' ' LYS . 14.9 p -56.58 -29.19 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.752 ' HG2' HG13 ' A' ' 61' ' ' VAL . 10.5 pttt -173.48 105.05 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.2 Cg_endo -69.81 -33.67 15.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -48.48 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -46.25 -40.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -66.51 -36.27 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -54.01 -48.84 70.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.92 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 95' ' ' LEU . 86.6 t -43.98 -57.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 74' ' ' ILE . 39.5 mt-10 -47.25 -56.3 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -58.71 -34.0 70.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.473 ' CE2' ' SD ' ' A' ' 76' ' ' MET . 81.6 t80 -64.6 -31.23 72.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ILE . 26.6 mt -76.27 -61.04 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.8 mp -36.15 -51.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -57.37 -47.65 81.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.473 ' SD ' ' CE2' ' A' ' 72' ' ' TYR . 19.7 mtp -57.23 -31.84 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.751 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.89 -52.73 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -49.66 -55.47 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -51.32 -48.1 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.51 39.06 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -94.57 -39.98 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' CE ' ' A' ' 76' ' ' MET . 8.8 mt -67.07 144.99 55.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.7 m -114.29 -60.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -109.64 171.3 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -68.95 115.26 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.81 124.73 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -97.28 179.06 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -37.06 -53.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' GLY . 41.1 mt-30 -56.22 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLN . . . -36.7 -42.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -61.22 -74.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 91' ' ' LEU . 21.3 mt -32.25 -41.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.0 -48.39 78.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.7 mt -64.79 -33.75 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -57.15 -30.43 64.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -85.62 -0.07 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -101.68 -60.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.457 HG11 HG22 ' A' ' 69' ' ' VAL . 2.4 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.7 ptp -64.78 -40.54 95.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 38' ' ' MET . 92.9 mtt180 -65.41 -41.5 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -64.84 -32.92 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -81.54 -40.18 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 46' ' ' VAL . 52.3 mt -61.45 -36.43 73.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HA ' HG22 ' A' ' 46' ' ' VAL . 23.1 mt -73.77 -27.68 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.99 -30.67 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.39 -39.18 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.687 HG23 ' HG ' ' A' ' 47' ' ' LEU . 32.9 m -80.67 -11.81 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 73' ' ' LEU . 31.8 mt -125.32 112.21 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.03 175.17 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' C ' ' CD ' ' A' ' 49' ' ' GLN . 8.5 tm0? -51.11 -45.76 61.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -51.6 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.0 -49.82 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.6 mmm180 -36.21 -46.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -54.08 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -53.68 -33.54 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.78 -63.2 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.8 t -50.74 -28.19 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.51 -50.23 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.92 -39.34 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.99 -25.11 4.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.83 -70.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -48.53 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -147.98 104.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.87 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -51.44 2.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -50.85 -63.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' THR . 49.3 mttp -34.12 -57.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.41 -54.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.98 HG21 HD23 ' A' ' 95' ' ' LEU . 95.2 t -48.44 -54.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -42.37 -59.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' A' ' 74' ' ' ILE . 63.8 t30 -53.75 -33.34 55.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.55 -54.56 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 47' ' ' LEU . 30.1 mt -57.47 -12.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 71' ' ' ASN . 42.1 mt -86.4 -48.27 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -52.6 -44.52 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.833 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -60.29 -43.9 95.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -56.72 -61.39 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -48.39 -45.64 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.37 43.02 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -101.59 -35.32 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' SD ' ' A' ' 76' ' ' MET . 13.1 mt -59.09 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.7 m 52.74 26.48 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.96 172.47 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -89.25 121.48 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 142.9 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 86.8 p -113.74 163.35 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.8 tt0 -34.65 -57.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -48.71 -55.13 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -56.65 20.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -47.55 -62.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.4 -47.39 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -37.26 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 73' ' ' LEU . 78.3 mt -69.36 -40.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.98 HD23 HG21 ' A' ' 69' ' ' VAL . 77.9 mt -55.52 -20.44 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -103.6 21.45 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -125.58 -51.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.642 HG11 HG22 ' A' ' 69' ' ' VAL . 2.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.824 0.345 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 ptm -47.46 -45.52 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.489 HH11 HD11 ' A' ' 43' ' ' LEU . 22.7 ptt85 -63.14 -52.21 63.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.483 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 62.4 m-20 -38.85 -48.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -70.93 -57.11 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 41.7 mt -49.27 -25.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.489 HD11 HH11 ' A' ' 39' ' ' ARG . 42.7 mt -77.09 -45.33 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -11.6 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -96.09 -28.31 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 42' ' ' ILE . 6.9 m -97.82 -13.74 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD23 ' HB ' ' A' ' 86' ' ' VAL . 36.4 mt -116.35 149.85 38.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.7 t70 -97.84 146.2 25.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ASP . 10.9 tm0? -36.32 -33.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' ASP . 14.9 m -67.39 -61.21 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.77 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.6 mmm180 -42.93 -59.38 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.84 -60.61 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 91' ' ' LEU . 12.7 tpt180 -44.57 -45.41 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' SER . 6.9 tp -67.23 -70.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 t -36.48 -42.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -46.26 -52.79 11.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.08 -32.86 70.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -50.01 -35.83 26.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.46 -72.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 62' ' ' LYS . 3.0 m -44.81 -60.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.7 ' H ' HG23 ' A' ' 61' ' ' VAL . 7.0 pttt -142.46 110.48 5.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -43.62 2.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.9 mm-40 -38.92 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -34.42 -69.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -44.47 -49.6 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' THR . 6.3 ttmt -37.55 -43.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.28 -59.23 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.051 HG21 HD23 ' A' ' 95' ' ' LEU . 20.3 t -47.39 -54.55 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 74' ' ' ILE . 66.9 mt-10 -46.51 -55.7 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -59.39 -41.56 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 94' ' ' ILE . 55.7 t80 -52.91 -30.95 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 47' ' ' LEU . 32.2 mt -73.96 -57.9 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.6 mp -38.56 -56.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -49.85 -49.16 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.71 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.0 mtm -57.29 -33.01 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.47 -58.42 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -42.08 -59.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -47.88 -50.99 24.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.44 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.07 -46.35 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.71 HD21 ' CE ' ' A' ' 76' ' ' MET . 13.9 mt -51.34 127.35 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -95.1 -54.25 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -124.36 173.6 8.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -67.58 120.87 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.467 ' HB ' HD23 ' A' ' 47' ' ' LEU . 79.3 t -51.05 136.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 59.6 p -102.36 160.33 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 15.2 tt0 -35.2 -59.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.75 -57.69 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.66 -54.84 23.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 54' ' ' ARG . 5.7 tp -50.91 -62.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -38.28 -35.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -76.63 -39.29 52.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 72' ' ' TYR . 58.7 mt -69.74 -21.91 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.051 HD23 HG21 ' A' ' 69' ' ' VAL . 11.0 mt -70.89 -32.16 69.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.75 21.67 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -118.6 -44.04 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.674 HG11 HG22 ' A' ' 69' ' ' VAL . 4.1 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 24.5 ptm -88.35 -51.93 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.714 ' CB ' HD11 ' A' ' 74' ' ' ILE . 12.8 ptm180 -63.92 -47.1 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -46.9 -38.06 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -80.34 -44.07 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 18.0 mt -67.02 -19.44 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -87.45 -25.85 23.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.22 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HG3' HG13 ' A' ' 46' ' ' VAL . 13.8 pt20 -98.09 -33.66 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 47' ' ' LEU . 26.8 m -86.97 -28.79 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 46' ' ' VAL . 83.1 mt -102.76 147.8 26.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 6.7 t70 -99.45 157.9 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 8.2 tp60 -37.18 -35.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.4 m -63.17 -71.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.89 -30.19 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -58.49 -47.28 84.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.92 -59.55 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -53.74 -49.39 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.631 HD11 ' OE1' ' A' ' 70' ' ' GLU . 18.8 tp -50.36 -39.78 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -70.16 -45.23 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -55.18 -42.33 73.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 14.9 tp -53.8 -44.73 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.45 -22.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -81.65 -61.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.47 HG13 ' HG2' ' A' ' 62' ' ' LYS . 1.3 p -56.21 -40.04 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' HG13 ' A' ' 61' ' ' VAL . 13.6 pttt -166.36 106.55 0.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -20.88 34.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.25 -66.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmpt? -45.53 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' OE2' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.39 -61.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -43.33 -66.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.9 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.912 HG21 ' CD2' ' A' ' 95' ' ' LEU . 38.5 t -53.36 -59.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.631 ' OE1' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -43.56 -57.16 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -58.68 -40.45 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 14.5 t80 -58.33 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 94' ' ' ILE . 73.6 mt -63.12 -56.56 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 39' ' ' ARG . 52.2 mt -40.0 -57.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -50.44 -41.15 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.8 mtm -68.81 -32.48 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -69.62 -59.35 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -43.07 -58.12 2.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -55.18 -49.59 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.69 32.46 2.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.541 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -82.01 -43.91 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 77' ' ' ALA . 8.8 mt -53.82 130.4 36.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 t -94.82 -57.47 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -123.51 173.32 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -66.48 135.37 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 47' ' ' LEU . 59.5 t -76.5 134.73 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 88' ' ' GLU . 17.6 t -106.43 166.01 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 87' ' ' SER . 11.5 tt0 -37.01 -63.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -45.61 -57.54 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.09 61.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 55' ' ' LEU . 5.3 tp -51.7 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 96' ' ' LYS . 16.6 mt -35.73 -50.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 96' ' ' LYS . 18.2 mm-40 -54.82 -40.69 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.584 ' O ' HG12 ' A' ' 98' ' ' VAL . 55.1 mt -67.71 -30.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.912 ' CD2' HG21 ' A' ' 69' ' ' VAL . 81.6 mt -68.28 -21.83 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 92' ' ' ILE . 9.7 mtmt -106.05 -7.39 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -101.9 -35.19 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 94' ' ' ILE . 14.8 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.416 ' CG ' ' N ' ' A' ' 39' ' ' ARG . 19.7 ptm -67.4 -49.73 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 10.2 ptm180 -54.87 -42.79 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 15.8 m-20 -53.01 -58.49 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ALA . 61.9 m -61.81 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.2 mt -40.14 -35.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.85 -40.97 88.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' SER . . . -74.12 -24.57 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.57 -30.09 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.6 m -90.55 -22.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HG ' HG23 ' A' ' 46' ' ' VAL . 89.6 mt -105.98 155.15 19.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.3 t70 -107.49 152.11 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ASP . 33.7 tt0 -34.75 -43.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -59.77 -61.0 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -56.02 -43.13 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -43.61 -45.62 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.15 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -47.61 -47.68 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.26 -64.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.8 t -41.3 -55.53 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -46.26 -52.7 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.8 tp -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.76 -39.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.88 -50.24 57.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LEU . 48.3 t -68.06 -60.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.17 90.4 45.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -19.63 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.32 -50.46 10.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -63.75 -40.43 96.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -48.77 -45.63 40.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.09 -58.11 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.919 ' CG2' HD23 ' A' ' 95' ' ' LEU . 94.1 t -45.62 -64.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' VAL . 28.2 mt-10 -36.46 -47.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.671 ' HA ' HD12 ' A' ' 74' ' ' ILE . 40.3 m-20 -73.85 -35.87 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.87 ' CD2' HG12 ' A' ' 98' ' ' VAL . 9.8 t80 -62.08 -43.2 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 HD21 ' A' ' 47' ' ' LEU . 93.3 mt -63.34 -53.36 53.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 71' ' ' ASN . 40.4 mt -43.32 -55.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.58 -43.92 62.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.97 -31.37 70.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.36 -47.65 78.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.12 -49.85 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -55.15 -35.2 64.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.67 39.4 4.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.04 -42.46 8.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -58.63 120.33 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 m -78.86 -45.17 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.84 171.31 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.54 116.59 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.51 141.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.5 t -105.09 159.83 15.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' SER . 26.1 tt0 -35.44 -55.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.91 -61.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.56 -53.96 29.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.4 tp -43.26 -58.98 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' LEU . 89.4 mt -41.64 -55.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.55 -50.36 74.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 98' ' ' VAL . 35.2 mt -46.99 -57.93 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' CG2' ' A' ' 69' ' ' VAL . 6.7 mt -37.79 -44.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -74.83 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 36.4 mttm -65.5 -52.95 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 CA--C 1.527 0.065 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.4 ptm -50.44 -43.4 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 29.0 ptt180 -63.91 -49.94 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.491 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 3.6 t-20 -41.39 -52.28 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -62.55 -44.7 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.8 mt -59.62 -27.06 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 70' ' ' GLU . 34.4 mt -83.13 -33.23 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.15 60.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -78.98 -34.76 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 42' ' ' ILE . 21.8 m -83.25 -14.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 51.5 mt -115.69 130.53 56.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.67 163.86 25.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.88 -46.54 42.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -57.1 -56.82 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.49 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -49.95 -50.04 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.54 -52.99 33.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.42 -56.97 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 47' ' ' LEU . 59.1 tp -44.79 -36.4 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -72.91 -37.09 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 65' ' ' LYS . 18.5 tp -62.6 -31.83 72.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.08 -8.9 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.7 -62.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.0 p -53.09 -46.57 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.616 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.2 pttt -160.96 105.02 1.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.8 13.78 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.57 -33.84 23.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HD2' HD21 ' A' ' 58' ' ' LEU . 1.1 tmtp? -82.78 -41.18 19.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -58.18 -36.41 73.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -59.94 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.21 -51.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 HG11 ' A' ' 98' ' ' VAL . 25.2 t -57.23 -48.26 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 43' ' ' LEU . 11.7 mt-10 -53.01 -48.79 67.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -66.62 -40.0 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 94' ' ' ILE . 48.6 t80 -54.07 -56.15 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 47' ' ' LEU . 34.9 mt -50.41 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' ALA . 18.3 mt -35.49 -65.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -40.82 -51.5 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.644 ' CE ' HD21 ' A' ' 82' ' ' LEU . 29.5 mtm -60.07 -31.31 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -71.46 -55.62 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -47.9 -48.8 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -63.24 -48.92 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.63 40.17 1.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -92.05 -41.2 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.644 HD21 ' CE ' ' A' ' 76' ' ' MET . 17.7 mt -67.07 91.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 m -59.86 -54.26 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -125.97 165.43 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -53.76 158.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.442 HG13 ' HA3' ' A' ' 90' ' ' GLY . 84.5 t -107.27 125.77 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' GLU . 2.4 m -88.55 166.64 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE2' HD11 ' A' ' 92' ' ' ILE . 3.0 tm-20 -34.37 -54.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.25 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.442 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -42.99 -45.9 6.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.1 tp -54.22 -70.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 95' ' ' LEU . 93.7 mt -39.45 -36.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.42 -38.91 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 72' ' ' TYR . 96.0 mt -62.73 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -59.16 -19.67 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.75 -8.28 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -103.66 -46.68 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' VAL . 6.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.843 0.354 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 4.3 ptp -66.18 -35.65 81.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 74' ' ' ILE . 9.3 ptp180 -70.97 -35.34 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 34.5 m-20 -78.72 -15.81 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -92.08 -48.3 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.7 mt -64.01 -19.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.06 -28.46 24.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.17 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.34 -36.68 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.631 HG23 ' HG ' ' A' ' 47' ' ' LEU . 28.9 m -85.27 -13.94 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -117.35 123.18 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 33.2 t70 -74.43 149.91 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' ASP . 7.4 tt0 -34.56 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' ASP . 63.4 p -65.29 -62.98 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.03 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.401 HH21 ' CD1' ' A' ' 47' ' ' LEU . 3.3 mmp_? -41.76 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -64.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -42.13 -47.02 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 91' ' ' LEU . 20.6 tp -57.28 -64.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -44.41 -45.63 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -55.14 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 66' ' ' THR . 7.8 tt -58.39 -37.59 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.05 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -79.98 -54.4 5.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 62' ' ' LYS . 5.7 p -61.85 -44.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.442 ' N ' HG13 ' A' ' 61' ' ' VAL . 3.4 pttm -164.54 115.59 0.93 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -19.17 36.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -50.39 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HB2' HD21 ' A' ' 58' ' ' LEU . 32.8 mmtt -39.41 -59.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.621 HG23 HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -41.55 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' THR . 36.8 mtmt -34.97 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 65' ' ' LYS . . . -73.89 -49.71 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.095 HG21 HD23 ' A' ' 95' ' ' LEU . 89.5 t -62.95 -51.95 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -41.52 -43.32 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.58 -43.37 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.648 ' HE2' HG23 ' A' ' 94' ' ' ILE . 15.0 t80 -57.67 -47.7 81.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.691 HD13 HD21 ' A' ' 47' ' ' LEU . 24.9 mt -61.83 -47.71 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ARG . 54.9 mt -55.08 -52.16 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 76' ' ' MET . 9.9 pt20 -61.49 -34.88 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.435 ' CE ' HD21 ' A' ' 82' ' ' LEU . 23.9 mtm -62.69 -42.5 99.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.476 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -62.46 -51.27 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -43.54 -56.49 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -52.12 -55.41 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.77 25.58 2.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.07 -45.99 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 76' ' ' MET . 12.5 mt -69.91 108.35 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -95.01 -52.26 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -104.84 164.24 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -67.24 127.87 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.38 128.01 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' GLU . 58.6 m -94.57 162.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.8 tt0 -34.52 -52.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -52.86 -59.05 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.4 -57.43 9.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.555 HD11 HD13 ' A' ' 55' ' ' LEU . 5.7 tp -46.19 -65.88 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.459 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 67.4 mt -36.08 -46.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.648 HG23 ' HE2' ' A' ' 72' ' ' TYR . 74.7 mt -58.95 -42.38 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.095 HD23 HG21 ' A' ' 69' ' ' VAL . 93.6 mt -53.13 -22.81 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -106.86 27.07 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -127.75 -46.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.0 ptm -52.27 -47.52 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 42' ' ' ILE . 39.3 ptt180 -62.38 -43.11 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -47.74 -48.93 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -69.46 -53.9 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 39' ' ' ARG . 30.0 mt -44.48 -36.87 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' VAL . 19.4 mt -74.05 -35.81 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.33 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 13.1 pt20 -69.37 -34.39 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 82' ' ' LEU . 35.2 m -84.71 -17.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 73' ' ' LEU . 75.7 mt -116.41 123.62 47.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLN . 2.1 p-10 -79.63 156.68 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ASP . 27.9 tt0 -35.11 -60.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 m -41.74 -67.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.74 -56.04 11.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.1 -60.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.95 75.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.3 tmt_? -64.8 -34.52 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.559 HD21 ' OE1' ' A' ' 70' ' ' GLU . 13.9 tp -67.72 -58.64 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -52.96 -48.49 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -43.83 -46.21 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ALA . 12.3 tp -54.81 -48.9 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.88 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' LEU . 13.0 mt -66.86 -56.46 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.03 -64.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -141.65 114.61 6.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.5 Cg_endo -69.74 -43.66 2.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' PRO . 6.2 tt0 -34.55 -54.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -59.38 -64.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -35.73 -43.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.85 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.779 HG21 HD23 ' A' ' 95' ' ' LEU . 60.4 t -53.92 -62.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.559 ' OE1' HD21 ' A' ' 55' ' ' LEU . 5.7 mm-40 -39.78 -38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -83.54 -31.09 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.655 ' CG ' HG12 ' A' ' 98' ' ' VAL . 11.6 t80 -67.5 -38.84 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.605 ' CD1' HD11 ' A' ' 47' ' ' LEU . 38.4 mt -68.18 -59.59 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' LEU . 58.5 mt -36.87 -61.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -42.16 -54.59 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.448 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 45.0 mtm -53.98 -35.35 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -68.73 -57.21 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mtp-105 -43.03 -58.37 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.03 -28.69 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.01 30.93 24.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 76' ' ' MET . 4.3 pt20 -83.71 -16.17 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 46' ' ' VAL . 30.0 mt -66.64 138.66 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -88.75 -55.88 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -157.67 170.9 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -40.39 122.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.0 132.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.4 m -98.33 162.09 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' SER . 13.7 tt0 -34.6 -60.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -46.77 -54.54 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.63 -50.2 61.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -53.37 -64.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.42 HG12 ' NE ' ' A' ' 54' ' ' ARG . 80.4 mt -36.75 -47.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.55 -40.48 83.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 97' ' ' LYS . 61.3 mt -57.31 -53.07 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.779 HD23 HG21 ' A' ' 69' ' ' VAL . 61.9 mt -38.69 -44.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.58 -36.36 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.5 mtpm? -68.91 -60.23 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.655 HG12 ' CG ' ' A' ' 72' ' ' TYR . 1.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.859 0.361 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptm -46.37 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.2 ptt180 -67.07 -43.46 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 3.9 t-20 -50.39 -40.05 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -73.48 -35.72 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 39' ' ' ARG . 20.5 mt -68.05 -39.21 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 70' ' ' GLU . 48.2 mt -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.85 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' HG ' ' A' ' 47' ' ' LEU . 35.5 m -80.89 -18.71 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 73' ' ' LEU . 90.4 mt -114.15 122.92 48.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLN . 9.0 t0 -78.63 153.78 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . 35.1 tt0 -35.29 -37.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -59.71 -72.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.06 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 4.7 mmm180 -46.62 -52.7 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.79 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -50.17 -40.6 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.49 -66.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -44.74 -30.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -70.24 -43.55 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 95' ' ' LEU . 2.3 tt -55.18 -29.91 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.0 -18.88 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.81 -73.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -52.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 pttt -152.62 115.14 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.0 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 11.0 pt-20 -45.43 -53.45 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.61 -44.64 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -59.54 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ALA . 40.2 mttp -45.19 -65.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -34.44 -59.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.761 HG21 HD23 ' A' ' 95' ' ' LEU . 99.7 t -48.76 -49.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HB3' HD11 ' A' ' 43' ' ' LEU . 49.2 mt-10 -52.36 -52.06 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.1 m-20 -60.32 -32.78 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -63.36 -58.24 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' CD1' HD21 ' A' ' 47' ' ' LEU . 86.7 mt -54.62 -35.27 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 71' ' ' ASN . 27.7 mt -62.34 -65.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' MET . 3.6 pt20 -46.01 -34.45 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 24.8 mtm -74.78 -43.66 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' ARG . . . -56.49 -62.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ALA . 32.0 mtp85 -37.95 -60.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -51.04 -39.32 55.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.02 52.17 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -103.01 -21.85 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.69 -73.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 m 61.19 30.95 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -169.65 -179.79 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -99.9 104.84 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.18 139.36 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -94.22 150.79 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -45.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -46.18 75.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.77 -50.84 60.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 54' ' ' ARG . 6.0 tp -51.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' LEU . 32.3 mt -34.75 -49.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -66.4 -51.65 54.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.71 -41.34 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 69' ' ' VAL . 59.7 mt -49.74 -44.56 48.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.37 23.36 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -118.36 -45.51 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 69' ' ' VAL . 7.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 42' ' ' ILE . 10.7 ptm -79.36 -47.02 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -58.41 -33.67 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -84.19 -18.68 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -80.22 -55.82 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 38' ' ' MET . 4.9 mp -62.96 -27.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 46' ' ' VAL . 35.3 mt -82.55 -31.3 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.43 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -83.82 -33.7 24.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 82' ' ' LEU . 35.3 m -85.98 -15.82 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 73' ' ' LEU . 98.1 mt -115.15 117.51 30.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.28 164.06 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -40.87 -34.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -64.47 -70.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.37 -52.88 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.2 mmp_? -36.84 -50.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.35 -54.53 31.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -48.66 -43.32 36.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -64.35 -61.59 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t -40.36 -45.13 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -55.46 -46.61 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.6 -31.97 64.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -56.68 -22.5 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.47 -74.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' LYS . 7.6 p -44.0 -48.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . 1.4 pttt -160.86 105.01 1.28 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' THR . 54.3 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.47 -53.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.39 -39.32 90.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' PRO . 1.7 m -61.01 -44.18 97.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -55.15 -52.58 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.54 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 95' ' ' LEU . 88.1 t -58.84 -58.12 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -47.01 -39.01 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.55 -27.37 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 94' ' ' ILE . 40.3 t80 -72.62 -42.79 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 47' ' ' LEU . 44.8 mt -66.82 -41.19 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.8 mt -58.81 -48.81 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' MET . 7.6 pt20 -63.96 -35.12 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 33.8 mtm -69.99 -40.03 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 42' ' ' ILE . . . -63.94 -59.19 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -47.62 -46.61 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.09 -47.58 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 42.16 1.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -96.59 -27.74 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 46' ' ' VAL . 5.3 mp -73.39 150.02 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -117.66 -49.88 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -132.02 178.28 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -66.6 127.33 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.14 128.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLU . 89.8 p -99.36 164.33 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.6 tt0 -34.66 -61.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.05 -50.65 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.98 -51.86 55.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.9 tp -46.41 -65.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 95' ' ' LEU . 83.0 mt -38.4 -45.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -37.6 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.8 mt -65.36 -37.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 69' ' ' VAL . 52.6 mt -56.7 -21.46 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.63 -11.25 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -94.04 -34.94 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.8 ptm -57.14 -52.12 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HA ' HD12 ' A' ' 42' ' ' ILE . 17.8 ptt180 -55.56 -43.25 75.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 31.7 m-20 -49.91 -54.86 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 m -61.25 -30.94 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 46' ' ' VAL . 36.8 mt -72.51 -37.17 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.513 ' HA ' HG22 ' A' ' 46' ' ' VAL . 40.8 mt -79.03 -27.86 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -82.89 -38.31 23.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' HG ' ' A' ' 47' ' ' LEU . 30.7 m -80.36 -16.66 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -120.6 124.34 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.62 166.01 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -49.07 -40.91 33.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -59.85 -66.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -49.7 -51.76 36.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.73 HH21 HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.16 -55.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.07 -51.84 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -50.46 -47.49 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD23 HH21 ' A' ' 52' ' ' ARG . 18.5 tp -60.05 -58.5 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 t -51.09 -37.17 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -58.06 -35.66 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.2 tp -74.54 -24.49 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.18 59.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.46 -69.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' H ' ' A' ' 62' ' ' LYS . 2.5 m -45.42 -57.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.629 ' H ' HG23 ' A' ' 61' ' ' VAL . 6.1 pttt -149.0 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -33.76 15.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -43.12 -72.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 69' ' ' VAL . 21.4 mmtm -42.96 -45.18 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.31 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -54.65 -63.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.5 -61.45 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 95' ' ' LEU . 80.4 t -41.18 -53.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -47.19 -52.36 15.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.8 t30 -61.77 -22.03 65.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 10.7 t80 -80.73 -53.67 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.998 HD13 HD21 ' A' ' 47' ' ' LEU . 51.6 mt -57.24 -13.6 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 71' ' ' ASN . 84.5 mt -85.67 -55.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 6.9 pt20 -46.92 -42.76 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.819 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.45 -40.51 96.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -61.41 -49.65 76.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -56.13 -47.35 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 12.3 m-85 -57.8 -38.68 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 29.57 8.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -88.83 -30.91 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.819 HD21 ' SD ' ' A' ' 76' ' ' MET . 10.6 mt -61.19 115.22 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -76.97 -50.44 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.96 172.29 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -46.81 128.19 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 124.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -81.9 158.5 23.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.51 ' OE2' HD11 ' A' ' 92' ' ' ILE . 7.0 tm-20 -39.29 -55.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -51.03 -57.4 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.35 -48.56 40.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 47' ' ' LEU . 6.1 tp -55.38 -56.72 16.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.51 HD11 ' OE2' ' A' ' 88' ' ' GLU . 96.0 mt -43.8 -42.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -62.94 -55.28 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.9 -47.74 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 69' ' ' VAL . 10.7 mt -43.73 -37.21 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 37.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -133.15 -38.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.2 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.866 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' HD12 ' A' ' 42' ' ' ILE . 18.8 ptm -54.92 -46.39 74.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASN . 24.9 mtp180 -63.41 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ARG . 91.9 m-20 -34.43 -60.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -49.57 -62.03 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.7 mt -45.22 -38.78 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.32 -25.29 54.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -82.56 -32.13 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 42' ' ' ILE . 29.4 m -86.41 -30.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 73' ' ' LEU . 65.6 mt -93.49 160.32 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -117.22 162.81 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -40.82 -37.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 m -62.51 -63.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -53.93 -50.7 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.36 -56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.31 -64.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -45.81 -55.57 6.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 tp -49.87 -52.03 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.2 m -52.64 -59.91 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -54.04 -40.31 66.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.451 HD21 ' HD2' ' A' ' 62' ' ' LYS . 3.5 tt -59.35 -24.64 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.67 -26.02 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.22 -55.92 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 62' ' ' LYS . 3.3 p -65.01 -54.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG3' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -135.03 87.64 28.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -50.25 -26.86 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -80.05 -53.75 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -58.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 33.6 mttp -42.72 -66.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -36.41 -51.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.039 HG22 HG11 ' A' ' 98' ' ' VAL . 96.3 t -54.57 -50.78 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.6 -52.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.496 ' HA ' HD12 ' A' ' 74' ' ' ILE . 50.8 t30 -57.61 -42.12 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -55.37 -39.67 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.7 HD11 HD21 ' A' ' 47' ' ' LEU . 51.1 mt -69.74 -54.44 13.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 71' ' ' ASN . 68.5 mt -42.02 -57.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -46.9 -52.1 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.1 mtm -56.08 -39.01 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -57.24 -63.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -46.17 -47.31 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -55.48 -40.44 71.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.1 50.38 2.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -110.05 -40.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 86' ' ' VAL . 14.7 mt -64.38 92.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -62.42 -48.56 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.98 164.32 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -56.69 119.29 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 82' ' ' LEU . 64.3 t -53.21 129.2 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.3 t -97.58 164.38 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.4 tt0 -34.39 -56.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.56 -58.26 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.46 -50.32 48.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.5 tp -51.28 -61.58 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.762 HG22 ' NZ ' ' A' ' 96' ' ' LYS . 38.6 mt -39.19 -41.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.85 -58.33 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' HG12 ' A' ' 98' ' ' VAL . 84.9 mt -48.0 -38.98 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -51.16 -33.67 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.762 ' NZ ' HG22 ' A' ' 92' ' ' ILE . 2.9 mppt? -79.13 -19.38 51.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.487 ' HE3' ' CB ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 -52.65 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 1.039 HG11 HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.859 0.361 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 42' ' ' ILE . 1.5 mtm -68.48 -51.48 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -55.03 -39.35 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -59.29 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -65.3 -56.01 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 46' ' ' VAL . 19.6 mt -44.28 -28.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 74' ' ' ILE . 28.4 mt -83.16 -36.14 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -30.56 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -76.43 -36.52 57.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.5 m -83.32 -15.78 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 91' ' ' LEU . 21.2 mt -113.43 113.06 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 t0 -67.75 150.88 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ASP . 22.4 tt0 -37.0 -37.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -63.97 -68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -52.27 -43.51 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -41.35 -57.73 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -46.54 -69.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 8.9 tpt180 -36.61 -64.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.785 HD21 ' CG ' ' A' ' 70' ' ' GLU . 15.8 tp -37.61 -40.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -69.05 -43.65 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -56.04 -42.42 76.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.687 HD11 ' NZ ' ' A' ' 62' ' ' LYS . 12.4 tp -62.62 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -94.26 -60.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 62' ' ' LYS . 4.9 p -61.75 -40.34 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.687 ' NZ ' HD11 ' A' ' 58' ' ' LEU . 4.5 pttp -166.12 105.0 0.7 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.8 Cg_endo -69.79 -37.38 9.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' PRO . 28.9 tt0 -37.61 -65.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.3 mmmt -50.0 -53.41 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -43.73 -54.53 5.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -49.47 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.47 -57.69 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.556 HG21 ' HG ' ' A' ' 95' ' ' LEU . 47.6 t -51.35 -45.85 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.785 ' CG ' HD21 ' A' ' 55' ' ' LEU . 28.2 mt-10 -60.2 -52.23 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -64.81 -25.97 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -66.58 -39.67 88.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 94' ' ' ILE . 52.2 mt -71.77 -51.03 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 43' ' ' LEU . 91.1 mt -40.76 -60.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -48.6 -55.35 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.4 mtm -53.77 -39.02 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -59.4 -51.35 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -47.69 -53.6 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -63.26 -28.13 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.98 37.5 7.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -84.46 -37.69 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 46' ' ' VAL . 4.9 mp -53.92 116.11 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 m -67.57 -49.11 64.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.31 163.62 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -38.01 137.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.27 135.76 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 88' ' ' GLU . 90.7 p -102.41 160.35 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 87' ' ' SER . 31.2 tt0 -36.55 -45.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -56.29 -68.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.04 -57.22 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.732 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.4 tp -40.09 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.593 ' HA ' HD13 ' A' ' 95' ' ' LEU . 61.6 mt -39.96 -44.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.44 -33.59 75.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 73' ' ' LEU . 53.4 mt -62.11 -50.4 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -49.71 -35.8 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -83.66 20.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -129.15 -42.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.503 HG11 HG22 ' A' ' 69' ' ' VAL . 3.0 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -46.8 111.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.838 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 m -96.48 98.4 10.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.6 -99.2 1.71 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m -82.75 150.97 26.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.895 0.379 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -103.46 -59.98 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.19 108.39 0.24 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -86.31 151.7 23.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.818 0.342 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 10' ' ' ARG . 18.6 mmt180 -102.48 40.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 9' ' ' ARG . 10.7 mtt85 -36.74 136.64 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -112.69 75.47 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -164.74 130.13 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.7 OUTLIER -96.94 148.4 22.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.35 147.42 20.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -48.44 155.22 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 17' ' ' GLN . 2.4 pp -71.32 169.11 15.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.502 ' N ' HD12 ' A' ' 16' ' ' LEU . 39.1 tt0 -115.44 97.03 5.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.31 103.37 4.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.6 ttpt -88.44 127.75 35.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -54.48 146.63 15.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 60.98 -140.59 48.08 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 23' ' ' PRO . 5.6 t70 -174.99 139.98 0.64 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 22' ' ' ASP . 53.3 Cg_endo -69.76 -49.07 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.47 -129.4 9.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.73 89.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.773 0.32 . . . . 0.0 110.854 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.73 -56.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.56 -46.22 33.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.086 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' GLN . 6.9 tp-100 -39.53 -57.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' GLN . 30.8 mm-40 -36.49 -40.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -73.15 -53.56 10.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.56 -51.8 58.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -57.91 -26.06 61.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -68.77 -47.76 65.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 mmm-85 -61.67 -39.17 90.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.65 -19.08 36.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -93.18 -22.43 19.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -80.95 -43.74 19.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 18.3 ptm -64.75 -47.61 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.75 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.5 ptm180 -55.37 -45.99 76.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 -51.28 -57.99 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -56.64 -25.93 54.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.6 mt -78.77 -35.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.429 HD13 ' CD ' ' A' ' 70' ' ' GLU . 51.7 mt -80.88 -32.28 34.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.937 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.54 -22.82 56.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.074 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 20.7 pt20 -88.37 -33.82 17.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.742 HG23 ' HG ' ' A' ' 47' ' ' LEU . 27.6 m -88.13 -18.92 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.05 HD21 HD13 ' A' ' 73' ' ' LEU . 11.9 mt -115.99 114.56 24.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -66.07 156.5 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -42.89 -31.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -69.63 -61.17 1.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.52 -35.52 53.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -57.08 -57.63 11.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -41.81 63.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -54.18 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 66' ' ' THR . 7.3 tp -55.32 -71.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 55' ' ' LEU . 42.8 t -37.28 -52.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -45.93 -42.45 12.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.576 HD23 ' OG1' ' A' ' 66' ' ' THR . 5.6 tp -73.06 -46.85 49.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -41.63 -24.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 58' ' ' LEU . 72.4 mt -68.93 -64.88 0.78 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -68.08 -40.2 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -126.87 82.36 67.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.58 0.705 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.16 2.82 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -64.37 -50.68 66.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HZ1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -55.38 -66.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.634 HG23 ' CD1' ' A' ' 55' ' ' LEU . 89.4 m -48.29 -42.54 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.126 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -46.48 -58.2 3.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.401 ' N ' ' HD2' ' A' ' 67' ' ' LYS . . . -51.0 -39.62 56.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG21 HD23 ' A' ' 95' ' ' LEU . 37.8 t -61.39 -41.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' CD ' HD13 ' A' ' 43' ' ' LEU . 4.9 mm-40 -53.0 -47.88 67.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -63.33 -38.47 91.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -56.12 -51.6 67.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.05 HD13 HD21 ' A' ' 47' ' ' LEU . 43.5 mt -57.76 -42.58 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.6 mt -59.1 -57.51 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 76' ' ' MET . 12.4 pt20 -57.05 -37.15 71.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 22.3 mtm -61.08 -37.95 84.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.53 -62.22 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -46.71 -55.48 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -51.42 -64.4 0.83 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.51 35.2 0.37 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -91.69 -40.13 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.3 mt -74.76 108.29 7.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.0 t -72.4 -67.75 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -126.33 171.8 10.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.5 mttp -45.55 121.37 3.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 79.5 t -70.33 150.19 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 3.3 m -114.44 162.84 16.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.3 tt0 -35.4 -65.67 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -39.9 -58.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.28 -61.88 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 47' ' ' LEU . 5.3 tp -44.23 -61.79 1.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.332 . . . . 0.0 110.942 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.54 -44.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.97 -36.35 83.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.499 ' N ' ' O ' ' A' ' 91' ' ' LEU . 27.7 mm -56.57 -45.83 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.977 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -46.42 -40.42 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -92.23 29.69 1.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.81 -46.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 69' ' ' VAL . 4.7 p -64.14 -33.11 60.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 t -66.84 -50.89 61.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -54.51 -41.19 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -88.51 118.74 28.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -43.37 152.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -170.3 146.61 2.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -153.45 176.15 12.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 76.6 p -61.25 87.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.6 p -97.03 122.11 39.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.3 t -112.41 149.28 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -111.79 130.82 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -109.58 112.33 24.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -167.77 175.71 6.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -101.02 119.26 38.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -62.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.1 p -138.65 131.79 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.04 146.34 18.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 173.64 10.65 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.371 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 35.2 p -158.56 152.92 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 57.8 p -62.21 124.37 20.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.811 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m -85.71 111.84 20.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.818 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -73.81 -48.72 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.51 116.55 0.42 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.472 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 t -106.97 98.83 8.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 t -83.78 122.63 28.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.44 163.55 40.94 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.0 mt -143.3 114.72 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -119.88 171.7 8.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -139.86 168.27 20.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -139.8 123.55 17.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.695 ' C ' HD13 ' A' ' 13' ' ' LEU . 61.9 mtm-85 -151.81 110.55 3.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.754 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.42 177.18 10.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.78 166.29 25.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.103 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.78 -176.75 6.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.3 pt? -138.85 145.52 40.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -115.31 176.11 5.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.82 172.37 7.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -129.95 117.43 20.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -158.92 160.41 36.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.81 58.6 1.07 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.62 156.65 36.13 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.591 0.71 . . . . 0.0 110.833 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.712 2.275 . . . . 0.0 112.285 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -47.23 -42.82 17.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.3 m-20 -41.22 -36.14 0.72 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.41 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -78.13 -52.37 8.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -60.72 -37.71 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 13.1 mt-30 -51.44 -39.45 57.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.62 -55.79 10.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 33' ' ' HIS . . . -53.36 -60.65 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -39.04 -26.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 31' ' ' ALA . 3.4 t-80 -64.53 -52.82 55.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -56.16 -38.33 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -55.26 -25.48 33.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.84 -36.87 16.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -67.06 -40.89 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.3 ptm -71.26 -51.9 21.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.593 ' HA ' HD12 ' A' ' 42' ' ' ILE . 7.0 ptm180 -55.25 -40.53 71.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -54.5 -56.87 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.5 t -54.1 -52.12 62.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 39' ' ' ARG . 16.3 mt -51.47 -58.77 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -49.03 -56.89 7.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -52.81 -36.1 57.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -68.02 -39.33 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.582 ' HB ' HD13 ' A' ' 82' ' ' LEU . 26.6 m -92.25 12.9 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD22 HD13 ' A' ' 91' ' ' LEU . 66.8 mt -128.51 106.64 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.33 156.95 11.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -44.12 -42.27 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -57.9 -62.86 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -50.94 -51.73 49.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.074 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 17.2 mmm180 -36.06 -60.48 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.24 -51.49 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.8 mmt-85 -51.38 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 HD21 ' CD ' ' A' ' 70' ' ' GLU . 13.6 tp -41.01 -58.91 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 19.8 t -53.61 -54.43 37.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.66 -49.9 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.476 HD23 ' OG1' ' A' ' 66' ' ' THR . 3.6 tp -54.0 -46.59 71.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -36.17 -31.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' LEU . 33.8 mt -69.8 -53.61 17.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.3 t -62.57 -64.46 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.82 97.69 13.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.562 0.696 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -28.59 24.74 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.66 2.24 . . . . 0.0 112.294 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -69.62 -42.92 73.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -64.72 -45.01 88.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.476 ' OG1' HD23 ' A' ' 58' ' ' LEU . 10.3 m -59.0 -42.1 89.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -53.59 -53.54 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.76 -51.45 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.01 HG21 HD23 ' A' ' 95' ' ' LEU . 56.8 t -52.49 -47.2 48.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.466 ' CD ' HD21 ' A' ' 55' ' ' LEU . 6.3 mm-40 -49.47 -37.06 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.564 ' HA ' HD12 ' A' ' 74' ' ' ILE . 36.6 t30 -78.01 -33.59 51.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -65.06 -47.79 76.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.32 -52.23 66.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 71' ' ' ASN . 34.5 mt -42.76 -63.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -42.47 -53.27 4.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.62 ' CE ' HD21 ' A' ' 82' ' ' LEU . 31.5 mtm -57.02 -40.26 76.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.71 -60.89 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -47.15 -51.04 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.834 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -60.31 -64.4 0.97 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.03 45.83 0.15 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -97.57 -51.69 4.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD21 ' CE ' ' A' ' 76' ' ' MET . 26.6 mt -53.21 92.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.6 p -49.06 -44.69 42.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -152.64 169.98 21.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -39.31 137.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.416 ' CG2' HD22 ' A' ' 82' ' ' LEU . 99.1 t -80.09 126.01 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.9 t -90.69 154.28 19.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.5 tt0 -34.82 -52.56 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -49.06 -55.53 11.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.31 -53.15 42.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD13 HD22 ' A' ' 47' ' ' LEU . 5.1 tp -48.7 -65.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 91' ' ' LEU . 97.4 mt -34.14 -52.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.03 -51.51 66.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 83.9 mt -44.66 -46.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.01 HD23 HG21 ' A' ' 69' ' ' VAL . 48.3 mt -52.12 -34.85 46.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 22.22 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -117.9 -50.48 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 69' ' ' VAL . 7.7 p -61.3 -33.22 55.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.8 t -43.55 -46.34 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.468 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 8.3 mm-40 -45.14 -53.07 8.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 52.64 38.11 25.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -163.46 164.83 24.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.454 ' HG2' HG23 ' A' ' 105' ' ' THR . 27.5 tt0 -142.03 141.22 32.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.29 -45.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 103' ' ' GLU . 80.9 p 42.36 43.22 2.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.4 m -133.24 144.06 49.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 39.5 m -137.26 118.46 14.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -80.19 46.33 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -53.45 102.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -169.58 115.57 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -158.52 116.66 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -98.1 139.02 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.6 t -145.88 156.91 43.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -122.88 65.15 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 103.87 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.4 p -156.34 132.49 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 28.9 t -66.35 138.49 57.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.467 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -144.73 177.78 8.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -153.91 170.36 21.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.01 -141.51 4.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -150.02 156.37 41.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.8 m -139.15 176.06 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.2 111.51 0.3 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.91 112.28 11.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.81 0.338 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -130.79 121.99 26.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -164.27 128.87 2.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -161.11 125.19 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -166.04 136.15 3.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 mt -108.41 127.97 54.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -124.24 146.11 48.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.144 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -169.53 143.24 2.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.538 ' C ' HD12 ' A' ' 16' ' ' LEU . 4.3 pp -131.06 161.96 30.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -56.71 120.41 7.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.35 -51.79 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -158.64 123.21 4.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -92.67 113.62 25.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.22 107.9 1.58 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -139.53 155.16 71.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.4 Cg_endo -69.74 2.29 3.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.668 2.246 . . . . 0.0 112.325 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -34.46 -48.52 0.65 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -37.77 -48.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.778 0.323 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.25 93.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -63.01 -43.59 98.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -45.75 -34.74 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -71.22 -31.6 67.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.0 tp10 -82.4 -51.88 7.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -50.21 -55.19 16.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -41.47 -26.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 31' ' ' ALA . 2.4 t-80 -74.4 -44.77 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 31' ' ' ALA . 29.1 mmm-85 -60.21 -51.3 70.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -40.22 -31.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.35 -44.86 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -58.61 -45.3 89.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.5 ptm -73.04 -43.14 62.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' HG2' HD13 ' A' ' 74' ' ' ILE . 44.1 mtt180 -57.63 -44.49 85.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -58.25 -51.76 68.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.9 m -56.81 -41.96 78.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.483 ' O ' HG22 ' A' ' 46' ' ' VAL . 32.1 mt -67.74 -26.92 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' ' 70' ' ' GLU . 23.0 mt -78.8 -39.64 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.68 -40.17 84.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.471 HE21 HG23 ' A' ' 42' ' ' ILE . 15.6 pt20 -66.26 -32.53 74.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 42' ' ' ILE . 35.0 m -90.18 -14.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 91' ' ' LEU . 73.2 mt -115.79 123.84 49.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLN . 15.7 t70 -78.49 150.6 32.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' ASP . 44.3 tt0 -34.51 -45.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.7 t -60.19 -66.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.21 -58.28 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.0 OUTLIER -34.85 -62.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -48.65 -58.06 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.89 -48.84 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.6 tp -58.42 -62.57 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.531 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.3 t -45.11 -47.94 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -45.95 -48.2 16.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.558 HD22 HD22 ' A' ' 95' ' ' LEU . 4.3 tp -61.25 -26.95 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -47.79 -29.38 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 mt -73.9 -68.8 0.48 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 62' ' ' LYS . 4.2 m -54.68 -50.45 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.443 ' N ' HG23 ' A' ' 61' ' ' VAL . 22.1 mttt -127.78 82.75 67.76 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -19.65 36.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.79 -45.51 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.665 ' HE2' HG13 ' A' ' 98' ' ' VAL . 0.0 OUTLIER -62.25 -44.57 96.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.3 m -54.36 -43.02 70.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -54.0 -56.05 21.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.43 -55.34 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.08 HG21 HD23 ' A' ' 95' ' ' LEU . 65.6 t -46.15 -56.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.556 ' HB3' HD11 ' A' ' 43' ' ' LEU . 62.3 mt-10 -46.23 -45.56 17.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -66.04 -29.65 70.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -72.81 -46.93 50.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.404 HD21 HD13 ' A' ' 94' ' ' ILE . 96.7 mt -62.02 -43.68 98.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.46 HD13 ' HG2' ' A' ' 39' ' ' ARG . 23.0 mt -56.11 -56.79 11.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 76' ' ' MET . 4.6 pt20 -55.86 -35.02 66.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.402 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 23.0 mtm -67.6 -37.77 83.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.68 -49.91 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.75 -52.48 65.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -54.65 -54.08 46.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.07 37.84 0.85 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -89.27 -45.75 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.95 126.84 28.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 48.9 m -95.09 -46.86 6.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -135.42 172.21 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -59.0 111.87 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.1 137.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 88' ' ' GLU . 21.9 p -103.83 164.61 11.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -34.78 -64.55 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.07 -63.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.34 -49.54 19.53 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.484 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 47' ' ' LEU . 6.4 tp -57.23 -66.86 0.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 50.3 mt -36.69 -35.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -71.86 -45.47 61.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 91' ' ' LEU . 66.9 mt -55.6 -43.63 73.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.062 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.08 HD23 HG21 ' A' ' 69' ' ' VAL . 21.4 mt -54.21 -27.59 35.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -98.7 22.67 9.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -123.8 -50.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.665 HG13 ' HE2' ' A' ' 65' ' ' LYS . 11.6 p -56.8 -25.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.4 t -93.02 -68.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -45.0 -45.28 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.447 ' O ' ' CD ' ' A' ' 101' ' ' GLN . 0.2 OUTLIER 66.37 41.37 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.0 t -167.63 161.86 13.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.39 72.17 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -131.36 166.2 21.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.2 t -159.22 130.75 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 42.7 m -164.41 114.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.5 t -159.94 118.18 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.7 t -132.06 111.86 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -121.82 145.85 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -52.94 119.88 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -101.49 -64.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 48.09 41.19 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.4 t -43.15 -55.95 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 145.39 83.38 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 2.54 3.44 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.7 m -99.83 123.6 44.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p -102.78 140.74 36.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -171.36 175.39 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.86 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -140.54 177.89 7.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.19 179.71 32.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.453 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -147.97 176.14 10.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -130.92 138.12 49.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 -162.99 30.44 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -165.46 125.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.881 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 8' ' ' LEU . 1.6 mpp_? -68.87 173.32 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.9 171.01 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -77.49 175.38 9.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -92.67 175.71 6.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 mp -70.39 170.77 11.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -117.46 139.55 50.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -101.33 156.68 17.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 16' ' ' LEU . 1.7 pt? -119.79 170.34 9.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.49 131.79 56.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.07 143.58 33.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 125.71 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -81.51 136.67 35.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 162.23 -64.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.514 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -38.74 157.22 0.11 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 25' ' ' ASP . 53.3 Cg_endo -69.84 -48.3 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.72 -78.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' PRO . 82.0 m-20 -40.81 -50.58 3.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -36.02 -51.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.83 -53.44 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.107 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 27' ' ' ALA . 16.9 tt0 -36.94 -59.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.38 -37.93 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.5 tp10 -81.14 -64.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.89 -59.25 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.095 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -44.0 -38.3 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -56.47 -58.44 8.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -57.16 -36.8 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -62.6 -22.64 66.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.65 -14.32 28.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -93.06 -45.72 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.506 ' O ' HD12 ' A' ' 42' ' ' ILE . 14.8 ptm -64.31 -37.59 88.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.38 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -59.48 -48.3 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -63.35 -63.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.8 mt -43.91 -38.99 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 mt -65.7 -44.89 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.45 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 85' ' ' LYS . 25.7 mt-30 -77.58 -24.79 49.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 42' ' ' ILE . 22.1 m -96.9 -15.89 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.1 mt -115.02 156.89 24.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -112.07 162.11 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -42.09 -35.79 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 m -62.03 -71.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.815 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.9 -48.83 42.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -37.83 -50.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.01 -63.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -46.56 -49.09 19.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.13 -61.72 2.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 2.7 t -45.95 -47.41 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' HA ' HD12 ' A' ' 60' ' ' LEU . 9.9 t30 -51.13 -46.4 61.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' HD2' ' A' ' 65' ' ' LYS . 17.7 tp -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -64.05 -9.55 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 57' ' ' ASN . 9.1 mt -97.92 -69.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.5 p -49.23 -37.04 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 19.9 pttt -169.28 105.0 0.48 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.553 0.692 . . . . 0.0 110.898 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.5 Cg_endo -69.75 -38.02 8.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.364 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' PRO . 22.1 tt0 -37.77 -69.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.517 ' HD2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.11 -47.5 61.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -49.88 -48.84 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.9 mttm -50.2 -60.5 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.64 -54.32 7.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.792 HG21 ' CD2' ' A' ' 95' ' ' LEU . 57.4 t -53.99 -61.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -40.26 -40.3 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.6 t-20 -72.04 -43.16 65.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -49.43 -53.34 23.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.5 HD21 HD13 ' A' ' 94' ' ' ILE . 35.4 mt -58.08 -51.48 69.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 71' ' ' ASN . 88.1 mt -43.98 -60.58 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' O ' ' CD1' ' A' ' 79' ' ' TYR . 43.0 mt-30 -49.26 -50.06 40.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.493 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.4 mtm -54.78 -32.32 59.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 74' ' ' ILE . . . -63.23 -68.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.1 -38.8 8.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 75' ' ' GLN . 2.8 m-85 -64.78 -39.3 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.54 33.34 5.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -92.65 -21.34 20.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD21 ' CE ' ' A' ' 76' ' ' MET . 9.3 mt -88.79 133.01 34.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.7 m -111.1 -42.76 3.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -123.29 168.88 11.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 45' ' ' GLN . 36.0 mttm -71.79 114.43 9.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.89 125.79 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 88' ' ' GLU . 60.6 p -99.2 171.12 8.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 87' ' ' SER . 9.6 tt0 -36.25 -59.15 0.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -45.55 -65.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.01 -54.8 9.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -49.89 -65.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.757 0.313 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 91' ' ' LEU . 58.1 mt -35.43 -37.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -76.39 -43.96 38.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.5 HD13 HD21 ' A' ' 73' ' ' LEU . 65.6 mt -51.5 -42.2 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.792 ' CD2' HG21 ' A' ' 69' ' ' VAL . 37.3 mt -56.81 -33.96 67.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -72.23 -3.83 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -102.02 -53.21 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 69' ' ' VAL . 1.9 p -72.31 -32.41 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.5 p -51.57 -53.98 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -59.41 -42.12 91.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -62.17 163.02 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.6 t 40.94 34.22 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -106.75 114.1 27.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -99.82 -55.92 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.9 t 39.72 40.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 106' ' ' THR . 12.9 t -97.54 121.44 39.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 16.7 p -137.6 166.6 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.6 ' O ' HG22 ' A' ' 108' ' ' VAL . 12.7 p -105.65 36.8 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 110' ' ' PHE . 9.3 tmtt? -147.98 142.83 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.454 ' N ' ' HD3' ' A' ' 109' ' ' LYS . 4.6 p90 -159.0 174.57 14.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -122.8 126.59 47.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 112' ' ' ARG . 0.8 OUTLIER -74.86 149.78 39.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t 50.8 48.61 22.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -141.11 -94.38 0.23 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.17 25.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.0 m -160.58 151.76 19.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.9 p -159.05 173.94 15.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -126.57 -46.91 1.58 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.382 . . . . 0.0 110.829 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.9 p -81.04 147.84 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.0 -154.52 8.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -145.76 162.49 37.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.377 . . . . 0.0 110.822 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -132.5 142.12 49.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.52 -167.4 41.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -141.7 179.39 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -131.7 172.52 12.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -140.31 179.41 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -95.56 -177.4 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.08 162.29 31.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 13' ' ' LEU . 1.9 mm? -115.11 -178.69 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.89 174.06 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.7 157.74 18.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.6 mt -103.96 -178.34 3.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -116.87 -178.33 3.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.55 179.42 6.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 111.0 23.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -101.58 169.84 8.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.33 106.7 0.96 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.46 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -160.71 157.75 23.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.594 0.712 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 1.5 4.38 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.61 -176.25 20.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.528 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 51.88 25.28 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.3 -28.25 31.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.97 -10.15 37.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -81.05 -35.97 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -59.94 -20.33 56.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.27 -24.61 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.16 -31.94 21.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 14.0 ptpt -79.16 -27.16 42.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -65.23 -37.34 86.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 37' ' ' GLU . 13.1 mmt180 -61.33 -65.12 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 5.2 pt-20 -37.28 -34.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.76 -37.56 19.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' ARG . 10.7 mm-40 -56.16 -44.89 79.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.478 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 5.7 ptp -67.57 -36.44 80.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 38' ' ' MET . 94.4 mtt180 -68.05 -39.69 82.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -57.92 -46.83 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -65.81 -49.42 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 46' ' ' VAL . 15.5 mt -58.35 -32.45 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.719 HD21 ' O ' ' A' ' 70' ' ' GLU . 20.3 mt -75.72 -32.75 60.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -38.29 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.079 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -70.72 -35.68 72.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG11 ' HB2' ' A' ' 77' ' ' ALA . 35.6 m -80.86 -21.08 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 55' ' ' LEU . 21.7 mt -117.18 117.66 30.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.421 ' CG ' ' N ' ' A' ' 49' ' ' GLN . 13.3 t70 -70.39 167.59 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 48' ' ' ASP . 1.9 tt0 -48.97 -43.29 39.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 m -55.2 -52.32 63.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -65.2 -48.4 73.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -41.48 -46.66 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.18 -63.11 1.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -49.07 -56.35 9.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 47' ' ' LEU . 35.4 tp -41.9 -38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.9 t -69.94 -42.33 73.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -51.94 -41.37 62.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.1 tp -66.14 -36.23 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.16 -11.48 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 41.0 mt -93.94 -63.69 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 p -55.34 -38.89 49.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 4.0 pttm -171.91 104.97 0.36 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.581 0.705 . . . . 0.0 110.935 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.9 Cg_endo -69.75 -43.04 2.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.6 tt0 -34.66 -54.5 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -61.56 -49.95 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 67' ' ' LYS . 7.9 m -52.05 -54.66 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 66' ' ' THR . 24.8 mtpt -36.72 -62.27 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.05 -66.01 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.801 HG21 HD23 ' A' ' 95' ' ' LEU . 61.0 t -41.01 -60.77 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.719 ' O ' HD21 ' A' ' 43' ' ' LEU . 29.2 mt-10 -39.67 -49.33 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.704 ' HA ' HD12 ' A' ' 74' ' ' ILE . 16.7 m-80 -71.94 -35.45 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.74 ' HE2' HG23 ' A' ' 94' ' ' ILE . 5.3 t80 -57.86 -38.09 75.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.958 HD21 HD13 ' A' ' 94' ' ' ILE . 64.6 mt -72.09 -47.44 51.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.704 HD12 ' HA ' ' A' ' 71' ' ' ASN . 44.6 mt -49.63 -48.35 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -60.59 -38.63 85.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.9 mtm -72.63 -31.92 65.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.537 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.2 mtt180 -39.54 -62.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -53.0 -50.7 63.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.24 37.45 1.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -86.37 -45.03 11.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.01 104.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.4 p -45.91 -65.37 0.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -150.3 172.98 14.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -39.43 121.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 69.7 t -78.88 122.47 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLU . 53.2 p -89.39 168.8 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.0 tt0 -36.51 -61.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.11 -49.57 63.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.92 -31.97 69.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.595 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.6 tp -67.48 -64.57 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.753 0.311 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.1 mt -37.48 -37.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -62.5 -43.65 98.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.958 HD13 HD21 ' A' ' 73' ' ' LEU . 27.5 mt -54.97 -48.71 75.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.801 HD23 HG21 ' A' ' 69' ' ' VAL . 21.5 mt -54.07 -34.53 60.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 96' ' ' LYS . 0.4 OUTLIER -69.21 -18.69 63.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -95.37 -45.49 7.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.486 ' CG2' ' CD2' ' A' ' 72' ' ' TYR . 42.8 t -68.25 -55.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.5 t -39.55 -62.38 0.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -54.54 -39.68 67.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.425 ' O ' ' CG2' ' A' ' 102' ' ' THR . 17.7 tp60 -47.81 125.49 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 101' ' ' GLN . 9.4 t 42.32 42.86 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -45.6 136.35 5.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 57.8 tttt -102.14 -65.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.458 ' O ' HG23 ' A' ' 105' ' ' THR . 12.2 t -162.02 124.9 2.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 107' ' ' THR . 10.2 t -61.96 -49.36 76.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 107' ' ' THR . 21.8 m 51.85 32.09 9.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.8 p -172.06 149.23 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -81.61 145.59 30.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -103.54 160.56 14.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -163.59 166.26 22.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.34 127.01 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.8 m -46.63 154.99 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -89.04 167.99 35.04 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 178.15 4.9 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 8.1 t -105.15 177.25 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -42.7 -59.14 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -169.8 112.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 110.845 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -66.3 -60.3 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.87 118.33 4.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 t -137.31 149.6 47.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -125.71 -49.12 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.13 176.14 24.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 8' ' ' LEU . 4.5 pp -90.45 173.14 8.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.359 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.2 ttp180 -116.58 -50.92 2.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.4 ttt-85 -108.84 86.25 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -51.33 152.01 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.54 170.06 15.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.2 tp -145.87 128.64 16.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.28 111.71 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -133.68 173.74 11.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -123.29 151.85 41.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -114.81 132.66 56.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -134.03 150.27 51.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -55.26 -60.84 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -42.65 -44.19 4.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.79 71.81 0.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.467 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -128.59 144.0 50.52 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.602 0.715 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -47.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.09 -132.67 36.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.36 -37.11 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.18 -40.64 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.68 -64.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -38.4 -51.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -60.58 -47.05 87.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -53.28 -53.34 52.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.65 -70.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -47.71 -38.77 15.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -53.43 -49.77 66.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -57.84 -43.39 85.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -52.8 -28.99 25.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.44 -19.17 31.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -85.86 -44.4 12.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.614 ' O ' HD12 ' A' ' 42' ' ' ILE . 9.6 ptp -67.56 -35.41 78.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' HG3' ' A' ' 38' ' ' MET . 2.2 ptm85 -73.48 -32.08 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -85.6 -27.17 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m -82.81 -43.09 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 38' ' ' MET . 22.8 mt -66.75 -30.9 51.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 46' ' ' VAL . 74.5 mt -81.25 -29.94 34.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -26.97 60.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -85.13 -36.12 21.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.59 HG23 ' HG ' ' A' ' 47' ' ' LEU . 34.4 m -81.36 -20.37 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.59 ' HG ' HG23 ' A' ' 46' ' ' VAL . 52.3 mt -109.36 123.37 49.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.2 175.17 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -59.51 -50.76 72.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.3 m -49.79 -56.2 11.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -58.97 -51.87 68.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.066 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 51' ' ' ALA . 30.7 mmm-85 -35.71 -53.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.58 86.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -59.74 -52.25 66.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.31 -49.16 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.9 m -56.63 -49.28 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.71 -30.83 14.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.473 HD21 ' CG ' ' A' ' 65' ' ' LYS . 14.6 tp -76.12 -27.52 57.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.0 -6.77 13.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.4 mt -103.05 -65.21 1.01 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.956 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.81 -38.48 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 6.2 pttm -170.68 104.97 0.41 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.522 0.677 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 64' ' ' GLU . 54.0 Cg_endo -69.76 -46.19 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 63' ' ' PRO . 11.0 pt-20 -35.27 -43.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 4.1 tppp? -67.86 -50.65 55.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 m -59.3 -32.73 70.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -55.9 -47.61 77.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.47 -57.32 13.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.021 HG21 HD23 ' A' ' 95' ' ' LEU . 30.1 t -51.18 -64.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' O ' HD21 ' A' ' 43' ' ' LEU . 42.7 mt-10 -34.8 -39.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -81.81 -41.32 21.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' VAL . 51.2 t80 -57.8 -43.17 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 43' ' ' LEU . 23.7 mt -62.71 -59.99 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 73' ' ' LEU . 63.2 mt -36.9 -51.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.117 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -55.4 -47.28 76.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.4 mtm -61.63 -30.63 70.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.525 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.83 -57.11 4.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -43.56 -48.62 7.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -77.36 -16.78 58.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 77' ' ' ALA . . . 69.95 27.92 72.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -78.61 -14.65 59.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.44 122.49 16.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.3 t -60.87 -58.12 9.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.08 171.53 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -40.42 117.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 95.1 t -71.18 126.67 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 88' ' ' GLU . 96.8 p -101.27 169.85 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.11 -62.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -42.26 -65.36 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.07 -57.61 8.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.2 tp -45.2 -64.22 0.77 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.635 HG22 ' HE3' ' A' ' 96' ' ' LYS . 35.0 mt -40.55 -40.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -69.25 -34.22 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.692 ' O ' HG12 ' A' ' 98' ' ' VAL . 46.2 mt -67.47 -36.39 76.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.116 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.021 HD23 HG21 ' A' ' 69' ' ' VAL . 17.2 mt -67.8 -11.94 59.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.635 ' HE3' HG22 ' A' ' 92' ' ' ILE . 46.7 mttt -103.82 -14.67 15.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -101.06 -34.05 9.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.961 HG11 HG22 ' A' ' 69' ' ' VAL . 14.7 p -78.48 -26.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -45.02 -54.79 6.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -83.04 -47.49 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -76.03 80.26 2.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.3 t -169.46 124.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -150.62 143.16 24.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 104.51 16.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 50.2 p -138.7 -179.77 6.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 106' ' ' THR . 19.1 m 63.79 39.32 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 63.6 p -122.16 88.47 2.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 32.7 m -149.09 153.96 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -128.76 89.39 2.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -94.71 97.63 10.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -139.97 118.91 12.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 113' ' ' SER . 20.8 ttp180 -161.47 129.68 4.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 112' ' ' ARG . 4.1 t 34.55 46.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.31 146.07 40.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -9.0 25.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.363 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 58.3 p -67.49 112.1 4.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.0 t -65.88 113.08 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m 45.29 42.94 7.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.828 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -121.31 140.91 51.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.12 179.79 19.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -159.67 176.61 11.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -161.99 169.34 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.43 -167.6 24.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.8 mt -140.71 171.38 14.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.31 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -139.93 150.49 44.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.833 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -129.07 172.77 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -150.43 179.98 7.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -146.38 144.98 30.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.3 tp -113.4 144.72 42.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.09 171.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -119.15 175.56 5.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -53.42 157.58 2.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 pm0 -114.53 166.94 11.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -79.78 97.08 6.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.405 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 74.9 t60 53.05 38.34 27.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.07 167.9 51.53 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.55 142.33 98.27 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.634 2.222 . . . . 0.0 112.363 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.18 -139.29 27.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.456 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.53 -19.19 14.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -48.98 -27.35 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.18 -53.5 6.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.86 -16.22 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -81.38 -38.19 27.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.85 -53.55 52.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.28 36.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -66.95 -30.99 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -60.97 -30.22 70.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.2 mmt-85 -63.78 -36.4 83.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' ARG . 9.1 tt0 -53.83 -33.93 57.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.488 ' HA ' ' CG ' ' A' ' 39' ' ' ARG . . . -82.2 -19.5 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.01 -29.24 23.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.576 ' O ' HD12 ' A' ' 42' ' ' ILE . 3.1 ptp -86.52 -36.8 18.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' CG ' ' HA ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -72.92 -25.31 61.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -82.46 -26.8 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.4 m -87.84 -37.44 16.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 38' ' ' MET . 20.0 mt -72.71 -29.19 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD21 ' O ' ' A' ' 70' ' ' GLU . 32.9 mt -79.33 -31.66 43.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.99 -35.8 64.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -71.28 -35.82 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG11 ' HB2' ' A' ' 77' ' ' ALA . 31.6 m -82.64 -15.35 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 73' ' ' LEU . 21.1 mt -115.37 119.73 37.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -70.39 164.91 23.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -46.38 -56.62 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 61.2 m -45.32 -50.26 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -63.1 -52.08 64.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.9 mmm180 -37.84 -51.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.94 96.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -61.13 -52.91 62.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.12 -53.8 19.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 m -52.6 -46.9 67.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -51.36 -36.33 42.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HG2' ' A' ' 65' ' ' LYS . 9.9 tp -74.19 -26.41 60.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.2 -3.18 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.5 mt -106.53 -68.61 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.4 p -51.4 -34.44 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.429 ' HG2' HG22 ' A' ' 61' ' ' VAL . 3.7 pttm -169.77 104.96 0.45 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.56 0.695 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -41.27 4.47 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -42.62 -61.2 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HG2' HD21 ' A' ' 58' ' ' LEU . 1.1 ttmp? -52.81 -38.09 60.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.0 m -70.58 -31.54 68.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.41 -49.03 79.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.56 -60.94 3.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.065 HG21 HD23 ' A' ' 95' ' ' LEU . 83.1 t -42.77 -56.51 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' O ' HD21 ' A' ' 43' ' ' LEU . 14.9 mt-10 -46.23 -52.24 12.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -71.17 -19.87 62.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.505 ' HE2' HG23 ' A' ' 94' ' ' ILE . 16.7 t80 -77.59 -35.53 52.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.53 HD11 HD21 ' A' ' 47' ' ' LEU . 28.3 mt -73.4 -47.88 38.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 79.6 mt -47.5 -55.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -52.18 -49.08 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.1 mtm -62.09 -36.94 83.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.463 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -65.51 -49.51 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -53.45 -54.72 32.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.83 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -55.13 -54.19 46.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 119.33 30.71 1.51 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -81.8 -51.79 7.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 77' ' ' ALA . 9.1 mt -48.62 110.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.7 m -70.67 -68.55 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -117.38 -177.37 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -68.48 120.83 15.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.9 t -67.32 117.42 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 88' ' ' GLU . 64.5 p -90.95 172.27 8.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' SER . 6.3 tt0 -36.04 -62.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -46.56 -50.7 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -59.63 -51.35 59.55 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.523 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 ' HB1' ' A' ' 51' ' ' ALA . 5.7 tp -52.51 -55.39 22.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 0.0 110.958 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.6 mt -47.15 -38.62 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -65.57 -40.15 92.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.505 HG23 ' HE2' ' A' ' 72' ' ' TYR . 38.3 mt -62.07 -45.59 98.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.162 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.065 HD23 HG21 ' A' ' 69' ' ' VAL . 15.5 mt -63.92 -16.85 62.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.934 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -89.62 -28.08 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.63 -34.84 17.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 101' ' ' GLN . 14.0 t -73.87 -56.19 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 98' ' ' VAL . 16.1 t -37.01 -48.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -59.11 -40.53 85.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 98' ' ' VAL . 29.2 mt-30 -59.62 -174.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.96 49.94 11.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -172.82 176.65 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -102.87 151.06 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 9.7 t -54.53 158.19 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 t -124.96 12.04 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 90.9 m -104.1 106.05 16.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.7 m -98.59 136.08 30.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -83.46 133.11 34.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -140.3 168.08 20.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -154.49 145.5 22.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.3 ttt180 -155.68 154.68 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 p 45.59 46.72 11.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -90.14 -85.28 1.36 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 122.67 9.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 61.8 m -149.05 163.25 38.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.6 m -109.62 129.01 55.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -167.7 168.47 12.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.87 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -174.22 139.31 0.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.21 157.47 29.92 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -162.72 171.39 16.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -167.55 169.73 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.01 115.95 0.66 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.486 HD13 ' N ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -136.25 118.3 15.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.824 0.345 . . . . 0.0 110.885 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' N ' HD13 ' A' ' 8' ' ' LEU . 49.1 mtm180 -122.73 162.23 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.9 ttp180 -172.41 152.46 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -147.62 163.53 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.66 146.87 31.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -48.42 172.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -146.88 132.86 19.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -86.82 138.65 31.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD12 ' H ' ' A' ' 18' ' ' ALA . 3.7 pp -85.25 -43.13 14.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.64 ' N ' HD12 ' A' ' 16' ' ' LEU . 18.4 pt20 33.76 53.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.685 ' H ' HD12 ' A' ' 16' ' ' LEU . . . -93.8 122.43 36.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -77.54 -57.62 3.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -40.66 -69.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -111.65 105.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.34 150.06 40.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.638 0.732 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.6 Cg_endo -69.83 4.36 2.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.655 2.237 . . . . 0.0 112.303 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -32.29 -46.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.503 ' O ' ' N ' ' A' ' 28' ' ' GLN . 2.4 m-20 -46.52 -53.23 11.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -34.67 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -66.03 -46.67 77.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 25' ' ' ASP . 6.6 pt20 -60.69 -42.81 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 28' ' ' GLN . 88.1 mt-30 -63.1 -40.23 97.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -53.08 -54.63 32.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.03 -14.46 63.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -80.84 -29.2 35.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -64.03 -28.69 69.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.2 mmt85 -50.1 -51.25 44.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -48.44 -32.01 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.21 -30.78 22.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -71.82 -35.17 69.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.7 ptm -74.89 -52.58 10.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.5 -32.08 73.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -61.57 -42.76 99.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.3 m -74.52 -45.38 46.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 mt -65.3 -21.75 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 74' ' ' ILE . 13.9 mt -80.46 -38.79 29.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.84 -41.17 75.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 46' ' ' VAL . 12.9 pt20 -63.32 -35.98 82.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.751 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.9 m -87.21 -17.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' A' ' 46' ' ' VAL . 82.0 mt -107.99 170.01 8.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 11.9 t0 -128.24 158.66 37.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 5.6 tp60 -38.05 -43.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.0 m -56.3 -71.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -47.47 -53.23 14.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' ALA . 48.8 mmm-85 -35.51 -43.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.83 -60.7 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.5 tpt85 -53.6 -55.97 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.58 -54.2 24.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 m -57.26 -39.67 76.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.43 -32.44 70.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.9 tp -75.7 -26.51 57.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.41 -5.8 12.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.7 mt -98.94 -65.72 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.752 HG13 ' HG2' ' A' ' 62' ' ' LYS . 14.9 p -56.58 -29.19 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.752 ' HG2' HG13 ' A' ' 61' ' ' VAL . 10.5 pttt -173.48 105.05 0.3 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.2 Cg_endo -69.81 -33.67 15.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -48.48 -66.35 0.42 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -46.25 -40.59 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.8 m -66.51 -36.27 82.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.5 tttp -54.01 -48.84 70.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.86 -61.92 2.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.774 HG21 HD13 ' A' ' 95' ' ' LEU . 86.6 t -43.98 -57.12 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 74' ' ' ILE . 39.5 mt-10 -47.25 -56.3 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -58.71 -34.0 70.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.473 ' CE2' ' SD ' ' A' ' 76' ' ' MET . 81.6 t80 -64.6 -31.23 72.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 74' ' ' ILE . 26.6 mt -76.27 -61.04 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.554 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.8 mp -36.15 -51.97 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -57.37 -47.65 81.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.473 ' SD ' ' CE2' ' A' ' 72' ' ' TYR . 19.7 mtp -57.23 -31.84 65.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.751 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.89 -52.73 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -49.66 -55.47 13.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -51.32 -48.1 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.51 39.06 1.82 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -94.57 -39.98 10.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.835 0.35 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD21 ' CE ' ' A' ' 76' ' ' MET . 8.8 mt -67.07 144.99 55.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.7 m -114.29 -60.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 mp0 -109.64 171.3 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -68.95 115.26 8.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.81 124.73 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.7 m -97.28 179.06 5.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -37.06 -53.61 0.98 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 90' ' ' GLY . 41.1 mt-30 -56.22 -74.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 89' ' ' GLN . . . -36.7 -42.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.463 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.6 tp -61.22 -74.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' O ' ' A' ' 91' ' ' LEU . 21.3 mt -32.25 -41.43 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.0 -48.39 78.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 91' ' ' LEU . 76.7 mt -64.79 -33.75 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.774 HD13 HG21 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -57.15 -30.43 64.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -85.62 -0.07 54.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -101.68 -60.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.457 HG11 HG22 ' A' ' 69' ' ' VAL . 2.4 p -54.41 -38.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 t -57.57 -43.85 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -69.34 -52.26 28.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -168.46 176.83 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 103' ' ' GLU . 9.1 t -118.82 -42.72 2.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.429 ' N ' HG23 ' A' ' 102' ' ' THR . 7.8 tm-20 -54.62 -62.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -147.92 149.56 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.2 p -119.39 107.69 13.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 34.9 p -128.34 -44.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 32.2 p 43.9 39.88 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.1 m -149.73 156.73 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -107.36 -50.44 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -111.46 148.34 33.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -121.33 166.83 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 114' ' ' GLY . 36.5 m -125.27 138.59 54.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 113' ' ' SER . . . 36.57 69.46 0.26 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.484 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.85 37.35 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 26.1 m -86.13 -52.11 5.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.6 m 61.74 45.32 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.493 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -171.11 168.26 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -167.85 177.52 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.65 -167.38 12.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -173.62 178.17 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.913 0.387 . . . . 0.0 110.836 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -147.18 179.4 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.89 -165.8 13.12 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.46 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.71 145.07 24.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -125.49 174.88 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 -146.83 -179.02 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -122.3 175.4 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -150.64 164.57 35.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.38 176.33 5.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.84 154.51 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -109.88 158.04 18.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.2 mt -90.92 105.38 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -107.74 163.33 13.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -37.86 142.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.21 167.05 28.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 20' ' ' HIS . 0.4 OUTLIER -100.71 173.33 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -38.07 111.7 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.424 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -138.91 156.16 72.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.8 Cg_endo -69.8 3.01 3.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.675 2.25 . . . . 0.0 112.317 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -34.73 -39.73 0.17 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.49 -50.11 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.72 -36.58 47.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -73.08 -54.77 7.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.056 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' ALA . 19.5 tt0 -37.24 -40.68 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -56.97 -46.06 82.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 27' ' ' ALA . 55.7 mm-40 -58.4 -49.97 75.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -54.36 43.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -66.21 -31.76 72.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -64.35 -51.68 62.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -52.66 -34.77 53.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -52.34 -31.21 32.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -37.24 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -67.64 -39.18 84.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 9.7 ptp -64.78 -40.54 95.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 38' ' ' MET . 92.9 mtt180 -65.41 -41.5 93.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -64.84 -32.92 74.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -81.54 -40.18 23.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 46' ' ' VAL . 52.3 mt -61.45 -36.43 73.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' HA ' HG22 ' A' ' 46' ' ' VAL . 23.1 mt -73.77 -27.68 61.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.99 -30.67 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -82.39 -39.18 23.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.687 HG23 ' HG ' ' A' ' 47' ' ' LEU . 32.9 m -80.67 -11.81 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.003 HD21 HD13 ' A' ' 73' ' ' LEU . 31.8 mt -125.32 112.21 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -71.03 175.17 5.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.822 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' C ' ' CD ' ' A' ' 49' ' ' GLN . 8.5 tm0? -51.11 -45.76 61.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.4 m -51.6 -65.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -53.0 -49.82 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.6 mmm180 -36.21 -46.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.12 -54.08 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -53.68 -33.54 55.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.3 tp -71.78 -63.2 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.8 t -50.74 -28.19 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -65.51 -50.23 66.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 tp -59.92 -39.34 85.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.99 -25.11 4.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 67.7 mt -76.83 -70.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -48.53 45.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -147.98 104.99 3.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.599 0.714 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -48.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.324 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -39.87 -70.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.84 -51.44 2.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.7 OUTLIER -50.85 -63.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 66' ' ' THR . 49.3 mttp -34.12 -57.09 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.41 -54.47 11.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.98 HG21 HD23 ' A' ' 95' ' ' LEU . 95.2 t -48.44 -54.54 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 66' ' ' THR . 1.0 OUTLIER -42.37 -59.99 1.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.583 ' HA ' HD12 ' A' ' 74' ' ' ILE . 63.8 t30 -53.75 -33.34 55.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -69.55 -54.56 13.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 1.003 HD13 HD21 ' A' ' 47' ' ' LEU . 30.1 mt -57.47 -12.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.583 HD12 ' HA ' ' A' ' 71' ' ' ASN . 42.1 mt -86.4 -48.27 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -52.6 -44.52 66.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.833 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -60.29 -43.9 95.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -56.72 -61.39 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.081 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.0 mtp180 -48.39 -45.64 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -60.9 -33.25 72.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.37 43.02 5.99 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -101.59 -35.32 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.833 HD21 ' SD ' ' A' ' 76' ' ' MET . 13.1 mt -59.09 -62.87 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.7 m 52.74 26.48 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.96 172.47 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -89.25 121.48 31.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 142.9 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 88' ' ' GLU . 86.8 p -113.74 163.35 15.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' SER . 3.8 tt0 -34.65 -57.96 0.51 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -48.71 -55.13 12.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.32 -56.65 20.6 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -47.55 -62.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.1 mt -43.4 -47.39 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -37.26 77.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 73' ' ' LEU . 78.3 mt -69.36 -40.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.98 HD23 HG21 ' A' ' 69' ' ' VAL . 77.9 mt -55.52 -20.44 12.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -103.6 21.45 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.4 mttp -125.58 -51.85 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.642 HG11 HG22 ' A' ' 69' ' ' VAL . 2.7 p -55.41 -22.58 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 m -65.62 -29.65 70.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 102' ' ' THR . 10.5 tt0 -104.58 -42.2 5.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 55.51 37.87 29.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 100' ' ' GLN . 5.0 t -174.82 146.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 104' ' ' LYS . 0.7 OUTLIER -105.59 28.69 7.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 103' ' ' GLU . 10.2 tmtt? -34.9 -63.23 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.1 t -164.98 132.19 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.3 p -87.14 79.65 8.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 1.4 t -172.05 127.6 0.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.204 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.409 ' C ' ' HD2' ' A' ' 109' ' ' LYS . 0.4 OUTLIER -149.53 158.52 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.101 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 108' ' ' VAL . 0.0 OUTLIER -156.99 144.38 18.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.404 ' CG ' ' O ' ' A' ' 109' ' ' LYS . 8.5 m-85 -168.79 124.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -154.72 155.23 34.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -148.54 137.2 21.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.0 t -136.71 160.21 39.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -161.38 82.76 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 173.23 11.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.684 2.256 . . . . 0.0 112.313 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -162.76 177.82 9.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.811 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 17.8 t -148.74 165.65 30.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.894 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.479 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -125.69 150.98 47.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -92.52 155.74 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.37 142.52 16.19 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -117.01 -44.17 2.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.4 p -75.1 -43.94 50.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.73 -160.57 49.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.45 104.64 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -124.2 90.21 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' C ' ' HG2' ' A' ' 11' ' ' GLN . 8.8 mtt85 -78.02 149.02 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' HG2' ' C ' ' A' ' 10' ' ' ARG . 33.5 mm-40 -156.94 149.02 22.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -121.97 157.35 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -100.22 111.22 23.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.17 -14.63 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -146.7 143.13 28.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.4 mt -141.39 174.28 10.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -122.66 128.99 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.61 138.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.12 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -159.94 129.03 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.7 m-70 -110.44 123.29 49.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.46 53.48 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.506 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -122.84 144.11 42.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.711 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.583 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 53.5 Cg_endo -69.75 -21.37 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.285 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.39 -141.8 16.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -39.38 -46.9 1.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.802 0.334 . . . . 0.0 110.843 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.583 ' HB3' ' HB2' ' A' ' 23' ' ' PRO . . . -34.11 -56.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.54 -48.06 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 29' ' ' GLN . 34.2 tp60 -42.1 -52.3 4.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 28' ' ' GLN . 11.0 pt20 -37.58 -37.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.75 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.67 -54.12 10.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 15.8 ptpt -42.04 -31.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 2.6 t-80 -65.55 -60.51 2.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -58.39 -34.42 70.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -70.67 -21.84 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -77.29 -24.44 50.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.86 -60.67 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 ptm -47.46 -45.52 26.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.489 HH11 HD11 ' A' ' 43' ' ' LEU . 22.7 ptt85 -63.14 -52.21 63.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.483 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 62.4 m-20 -38.85 -48.8 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.2 m -70.93 -57.11 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 46' ' ' VAL . 41.7 mt -49.27 -25.86 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.489 HD11 HH11 ' A' ' 39' ' ' ARG . 42.7 mt -77.09 -45.33 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.65 -11.6 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -96.09 -28.31 14.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 42' ' ' ILE . 6.9 m -97.82 -13.74 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD23 ' HB ' ' A' ' 86' ' ' VAL . 36.4 mt -116.35 149.85 38.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' SER . 16.7 t70 -97.84 146.2 25.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 48' ' ' ASP . 10.9 tm0? -36.32 -33.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' ASP . 14.9 m -67.39 -61.21 2.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.77 76.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 5.6 mmm180 -42.93 -59.38 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.84 -60.61 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.532 ' HG2' HD23 ' A' ' 91' ' ' LEU . 12.7 tpt180 -44.57 -45.41 9.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 56' ' ' SER . 6.9 tp -67.23 -70.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.1 t -36.48 -42.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -46.26 -52.79 11.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 tp -59.08 -32.86 70.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -50.01 -35.83 26.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.46 -72.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.7 HG23 ' H ' ' A' ' 62' ' ' LYS . 3.0 m -44.81 -60.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.7 ' H ' HG23 ' A' ' 61' ' ' VAL . 7.0 pttt -142.46 110.48 5.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -43.62 2.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 65' ' ' LYS . 34.9 mm-40 -38.92 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -34.42 -69.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' LYS . 0.6 OUTLIER -44.47 -49.6 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' THR . 6.3 ttmt -37.55 -43.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.28 -59.23 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.065 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.051 HG21 HD23 ' A' ' 95' ' ' LEU . 20.3 t -47.39 -54.55 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.49 ' O ' HD12 ' A' ' 74' ' ' ILE . 66.9 mt-10 -46.51 -55.7 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -59.39 -41.56 89.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 94' ' ' ILE . 55.7 t80 -52.91 -30.95 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.416 ' CD1' HD11 ' A' ' 47' ' ' LEU . 32.2 mt -73.96 -57.9 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 70' ' ' GLU . 2.6 mp -38.56 -56.62 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -49.85 -49.16 50.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.71 ' CE ' HD21 ' A' ' 82' ' ' LEU . 24.0 mtm -57.29 -33.01 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -71.47 -58.42 3.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -42.08 -59.92 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -47.88 -50.99 24.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.84 35.44 2.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.07 -46.35 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.71 HD21 ' CE ' ' A' ' 76' ' ' MET . 13.9 mt -51.34 127.35 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -95.1 -54.25 3.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -124.36 173.6 8.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -67.58 120.87 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.467 ' HB ' HD23 ' A' ' 47' ' ' LEU . 79.3 t -51.05 136.11 10.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 88' ' ' GLU . 59.6 p -102.36 160.33 14.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' SER . 15.2 tt0 -35.2 -59.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.75 -57.69 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -51.66 -54.84 23.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 54' ' ' ARG . 5.7 tp -50.91 -62.42 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.755 0.312 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.5 mt -38.28 -35.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -76.63 -39.29 52.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.542 HG23 ' CE2' ' A' ' 72' ' ' TYR . 58.7 mt -69.74 -21.91 24.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.051 HD23 HG21 ' A' ' 69' ' ' VAL . 11.0 mt -70.89 -32.16 69.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.75 21.67 16.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.472 ' CD ' ' HA ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -118.6 -44.04 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.841 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.674 HG11 HG22 ' A' ' 69' ' ' VAL . 4.1 p -60.85 -35.02 61.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.4 p -54.7 -20.58 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -87.39 -49.47 7.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -77.3 170.22 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 102' ' ' THR . 10.8 t -119.81 119.25 33.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -92.49 176.0 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -147.9 172.68 13.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.3 t -142.3 137.03 30.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.4 m -103.08 135.91 43.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 78.7 p -99.42 142.12 31.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.5 p -124.27 144.7 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt -70.08 161.61 29.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.487 ' CB ' ' HD3' ' A' ' 115' ' ' PRO . 26.2 p90 -82.42 124.09 29.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -108.77 -60.0 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.86 125.38 43.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.0 t 43.64 46.36 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -68.6 -90.55 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.487 ' HD3' ' CB ' ' A' ' 110' ' ' PHE . 53.2 Cg_endo -69.76 -174.88 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 22.1 t 58.83 42.43 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.9 p -115.23 168.59 9.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.498 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -67.61 159.17 30.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 p -67.75 140.64 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.86 139.03 2.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.77 112.02 14.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -157.43 135.42 10.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.78 70.75 0.12 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -52.98 157.71 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -114.95 63.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -80.41 174.24 11.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' CD ' ' N ' ' A' ' 11' ' ' GLN . 0.6 OUTLIER -127.79 122.5 32.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.6 mmt85 -144.88 131.89 20.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 13' ' ' LEU . 9.1 tt -138.92 110.63 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.01 145.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -99.65 137.72 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 113' ' ' SER . 37.2 mt -150.27 119.07 6.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -132.72 147.62 52.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.86 -177.8 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -115.33 -68.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -121.51 172.51 8.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.25 -112.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.453 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -145.27 138.72 14.35 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' ASP . 53.7 Cg_endo -69.77 -9.22 25.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -39.54 92.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PRO . 41.3 m-20 36.16 30.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -87.24 -26.93 23.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -93.01 -55.1 3.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' ALA . 30.9 tp60 -35.55 -44.85 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' NE2' ' HB2' ' A' ' 113' ' ' SER . 15.6 pt20 -70.85 -41.93 70.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.6 tp10 -71.13 -62.96 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' ARG . . . -45.5 -66.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HA ' ' CD ' ' A' ' 35' ' ' GLU . 20.0 pttt -37.21 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' ALA . 1.3 t-80 -79.54 -42.6 24.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 31' ' ' ALA . 23.4 mmm-85 -64.17 -48.33 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' CD ' ' HA ' ' A' ' 32' ' ' LYS . 6.2 pt-20 -50.72 -32.43 19.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.61 -31.94 14.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.89 -18.44 62.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 24.5 ptm -88.35 -51.93 5.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' CB ' HD11 ' A' ' 74' ' ' ILE . 12.8 ptm180 -63.92 -47.1 81.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -46.9 -38.06 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 t -80.34 -44.07 20.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' O ' HG22 ' A' ' 46' ' ' VAL . 18.0 mt -67.02 -19.44 25.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.7 mt -87.45 -25.85 23.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.18 -12.22 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' HG3' HG13 ' A' ' 46' ' ' VAL . 13.8 pt20 -98.09 -33.66 11.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.585 HG23 ' HG ' ' A' ' 47' ' ' LEU . 26.8 m -86.97 -28.79 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.585 ' HG ' HG23 ' A' ' 46' ' ' VAL . 83.1 mt -102.76 147.8 26.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 49' ' ' GLN . 6.7 t70 -99.45 157.9 16.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 48' ' ' ASP . 8.2 tp60 -37.18 -35.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 62.4 m -63.17 -71.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.89 -30.19 13.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 29.6 mmm-85 -58.49 -47.28 84.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.92 -59.55 4.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HD2' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -53.74 -49.39 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.631 HD11 ' OE1' ' A' ' 70' ' ' GLU . 18.8 tp -50.36 -39.78 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.5 t -70.16 -45.23 67.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -55.18 -42.33 73.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' N ' ' ND2' ' A' ' 57' ' ' ASN . 14.9 tp -53.8 -44.73 70.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -44.45 -22.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.7 mt -81.65 -61.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.47 HG13 ' HG2' ' A' ' 62' ' ' LYS . 1.3 p -56.21 -40.04 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' HG2' HG13 ' A' ' 61' ' ' VAL . 13.6 pttt -166.36 106.55 0.69 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.567 0.699 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -20.88 34.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.35 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.25 -66.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.668 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.2 mmpt? -45.53 -59.09 2.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.536 HG22 ' OE2' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -38.39 -61.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -43.33 -66.95 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.0 -47.9 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.912 HG21 ' CD2' ' A' ' 95' ' ' LEU . 38.5 t -53.36 -59.46 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.631 ' OE1' HD11 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -43.56 -57.16 3.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -58.68 -40.45 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.476 ' CE2' ' HD2' ' A' ' 97' ' ' LYS . 14.5 t80 -58.33 -46.44 86.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 94' ' ' ILE . 73.6 mt -63.12 -56.56 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD11 ' CB ' ' A' ' 39' ' ' ARG . 52.2 mt -40.0 -57.05 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -50.44 -41.15 52.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.8 mtm -68.81 -32.48 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.545 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -69.62 -59.35 3.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -43.07 -58.12 2.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -55.18 -49.59 71.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.69 32.46 2.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.541 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -82.01 -43.91 17.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.945 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 77' ' ' ALA . 8.8 mt -53.82 130.4 36.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 t -94.82 -57.47 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -123.51 173.32 8.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -66.48 135.37 54.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.479 ' HB ' HD23 ' A' ' 47' ' ' LEU . 59.5 t -76.5 134.73 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 88' ' ' GLU . 17.6 t -106.43 166.01 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 87' ' ' SER . 11.5 tt0 -37.01 -63.0 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -45.61 -57.54 4.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.09 61.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.576 HD11 HD13 ' A' ' 55' ' ' LEU . 5.3 tp -51.7 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.485 HG22 ' HE2' ' A' ' 96' ' ' LYS . 16.6 mt -35.73 -50.95 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HA ' ' CE ' ' A' ' 96' ' ' LYS . 18.2 mm-40 -54.82 -40.69 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.584 ' O ' HG12 ' A' ' 98' ' ' VAL . 55.1 mt -67.71 -30.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.912 ' CD2' HG21 ' A' ' 69' ' ' VAL . 81.6 mt -68.28 -21.83 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.485 ' HE2' HG22 ' A' ' 92' ' ' ILE . 9.7 mtmt -106.05 -7.39 18.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.476 ' HD2' ' CE2' ' A' ' 72' ' ' TYR . 0.0 OUTLIER -101.9 -35.19 9.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 94' ' ' ILE . 14.8 p -68.46 -10.7 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.6 p -60.13 -40.85 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.26 -52.24 62.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -60.34 162.64 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.2 t -107.7 -179.91 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -104.62 172.99 6.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -123.89 157.76 33.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.0 p -87.97 167.36 13.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.9 p -82.49 -179.7 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.125 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.6 t -118.01 167.0 11.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 p -84.46 144.74 9.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -146.9 144.18 29.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -135.31 116.59 14.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.47 ' OD1' ' CB ' ' A' ' 30' ' ' GLU . 6.5 p30 -155.21 133.1 11.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -75.52 146.1 40.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.51 ' HB2' HD13 ' A' ' 16' ' ' LEU . 4.6 p -118.93 111.56 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -147.13 144.92 13.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 115.67 4.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 t -66.2 105.68 1.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.1 t -61.42 131.29 49.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -108.12 162.43 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -94.4 -51.54 4.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.02 97.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.1 m -150.97 162.39 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -111.79 104.5 12.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.53 -179.24 41.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.86 97.73 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.4 mtt180 54.76 41.97 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 47.54 43.41 15.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -90.17 86.73 6.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -100.68 130.66 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.9 mt -140.63 133.18 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.89 123.25 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -100.43 136.4 40.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -120.32 119.7 33.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -133.69 135.0 43.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.66 115.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -114.65 110.84 20.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -172.58 135.21 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.788 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.93 177.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -127.54 146.84 60.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.556 ' HB2' ' HB3' ' A' ' 27' ' ' ALA . 53.8 Cg_endo -69.8 -44.24 2.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.246 . . . . 0.0 112.351 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.38 -178.68 0.14 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 26' ' ' ALA . 17.5 m-20 -41.96 -47.26 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 25' ' ' ASP . . . -35.52 -57.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 23' ' ' PRO . . . -86.63 -47.33 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ALA . 39.8 tt0 -35.3 -67.7 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' GLN . 28.3 mm-40 -35.23 -39.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 27' ' ' ALA . 5.2 tp10 -80.38 -55.46 4.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.9 -59.18 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 6.3 ptmt -39.83 -32.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 5.9 t-80 -64.92 -50.38 66.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.82 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HD2' ' CD ' ' A' ' 37' ' ' GLU . 15.0 mmm180 -67.71 -14.77 63.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -85.89 -16.58 38.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.87 16.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.074 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CD ' ' HD2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -81.87 -44.37 16.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.416 ' CG ' ' N ' ' A' ' 39' ' ' ARG . 19.7 ptm -67.4 -49.73 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.827 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 40' ' ' ASN . 10.2 ptm180 -54.87 -42.79 72.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 15.8 m-20 -53.01 -58.49 6.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 44' ' ' ALA . 61.9 m -61.81 -65.73 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.557 ' O ' HG13 ' A' ' 46' ' ' VAL . 30.2 mt -40.14 -35.78 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -66.85 -40.97 88.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' SER . . . -74.12 -24.57 59.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.57 -30.09 27.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG11 ' HB2' ' A' ' 77' ' ' ALA . 25.6 m -90.55 -22.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.502 ' HG ' HG23 ' A' ' 46' ' ' VAL . 89.6 mt -105.98 155.15 19.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.3 t70 -107.49 152.11 24.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' ASP . 33.7 tt0 -34.75 -43.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.4 m -59.77 -61.0 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.621 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -56.02 -43.13 77.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -43.61 -45.62 6.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.9 -54.15 17.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -47.61 -47.68 28.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.26 -64.07 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.8 t -41.3 -55.53 2.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -46.26 -52.7 12.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 9.8 tp -57.33 -50.94 71.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.76 -39.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.09 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.1 mt -67.88 -50.24 57.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' LEU . 48.3 t -68.06 -60.07 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.17 90.4 45.24 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.564 0.697 . . . . 0.0 110.933 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -19.63 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -80.32 -50.46 10.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -44.72 85.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.4 m -63.75 -40.43 96.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.147 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -48.77 -45.63 40.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.09 -58.11 9.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.919 ' CG2' HD23 ' A' ' 95' ' ' LEU . 94.1 t -45.62 -64.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 69' ' ' VAL . 28.2 mt-10 -36.46 -47.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.671 ' HA ' HD12 ' A' ' 74' ' ' ILE . 40.3 m-20 -73.85 -35.87 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.87 ' CD2' HG12 ' A' ' 98' ' ' VAL . 9.8 t80 -62.08 -43.2 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 HD11 HD21 ' A' ' 47' ' ' LEU . 93.3 mt -63.34 -53.36 53.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 71' ' ' ASN . 40.4 mt -43.32 -55.98 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -51.58 -43.92 62.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.97 -31.37 70.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -64.36 -47.65 78.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -66.12 -49.85 66.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -55.15 -35.2 64.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.67 39.4 4.98 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -95.04 -42.46 8.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -58.63 120.33 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.2 m -78.86 -45.17 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -147.84 171.31 15.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.54 116.59 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -55.51 141.53 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 88' ' ' GLU . 6.5 t -105.09 159.83 15.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 87' ' ' SER . 26.1 tt0 -35.44 -55.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -47.91 -61.9 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.56 -53.96 29.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.621 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.4 tp -43.26 -58.98 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.739 0.304 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.7 ' HA ' HD12 ' A' ' 95' ' ' LEU . 89.4 mt -41.64 -55.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.55 -50.36 74.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 98' ' ' VAL . 35.2 mt -46.99 -57.93 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.919 HD23 ' CG2' ' A' ' 69' ' ' VAL . 6.7 mt -37.79 -44.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -74.83 -34.81 62.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 36.4 mttm -65.5 -52.95 49.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -47.36 -24.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.129 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.2 t -51.39 -37.69 49.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -103.29 -37.4 7.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.3 tp60 -83.07 77.2 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -166.31 141.49 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.21 150.8 13.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.14 156.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.5 t -130.75 137.79 49.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 107' ' ' THR . 7.6 t -126.31 141.11 52.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 106' ' ' THR . 25.9 p -156.58 135.92 12.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.66 119.4 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -68.67 -65.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -163.15 -178.87 6.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -75.67 163.35 27.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.38 145.88 28.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 t -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.35 83.92 0.8 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 145.61 57.63 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -133.22 -179.98 5.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.4 m -125.01 150.26 46.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -171.29 168.84 6.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.79 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -173.96 176.54 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.47 169.68 39.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -173.49 150.71 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -156.41 169.76 23.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.25 156.28 32.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.5 mt -131.95 -74.56 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.6 ttp85 -171.44 121.37 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 4.8 mmp_? -102.32 173.79 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.7 tp60 -172.72 127.24 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -170.85 119.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 mt -154.3 164.81 37.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -173.31 144.22 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.082 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.14 116.21 30.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.914 HD22 ' N ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -71.63 169.0 16.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.914 ' N ' HD22 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -136.82 160.81 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -165.61 -178.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -141.63 160.97 39.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -124.34 157.24 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' O ' ' CG ' ' A' ' 22' ' ' ASP . . . -59.0 160.26 16.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.451 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 21' ' ' GLY . 16.0 m-20 -161.85 148.9 11.43 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.606 0.717 . . . . 0.0 110.848 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.7 Cg_endo -69.75 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -35.71 -44.22 0.66 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -41.32 -52.88 3.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.65 -47.14 29.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.7 -45.89 90.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 29' ' ' GLN . 2.2 tp-100 -45.06 -58.14 3.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 28' ' ' GLN . 73.5 mt-30 -37.93 -36.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -76.7 -48.21 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.93 75.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -56.66 -17.68 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -72.62 -46.47 53.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -59.49 -36.5 76.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -60.92 -25.37 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.68 -17.67 33.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.06 -55.27 3.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.4 ptm -50.44 -43.4 55.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 29.0 ptt180 -63.91 -49.94 70.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.491 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 3.6 t-20 -41.39 -52.28 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -62.55 -44.7 95.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 39' ' ' ARG . 29.8 mt -59.62 -27.06 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 70' ' ' GLU . 34.4 mt -83.13 -33.23 26.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -29.15 60.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -78.98 -34.76 43.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 42' ' ' ILE . 21.8 m -83.25 -14.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 55' ' ' LEU . 51.5 mt -115.69 130.53 56.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -77.67 163.86 25.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -48.88 -46.54 42.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.0 m -57.1 -56.82 16.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.72 -42.49 79.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 23.6 mmm-85 -49.95 -50.04 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.54 -52.99 33.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -58.42 -56.97 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 47' ' ' LEU . 59.1 tp -44.79 -36.4 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 t -72.91 -37.09 67.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.817 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.02 -41.76 97.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 ' HD2' ' A' ' 65' ' ' LYS . 18.5 tp -62.6 -31.83 72.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.08 -8.9 3.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 17.6 mt -97.7 -62.06 1.3 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' HG2' ' A' ' 62' ' ' LYS . 3.0 p -53.09 -46.57 54.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.616 ' HG2' HG22 ' A' ' 61' ' ' VAL . 19.2 pttt -160.96 105.02 1.27 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.915 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.8 13.78 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.57 -33.84 23.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HD2' HD21 ' A' ' 58' ' ' LEU . 1.1 tmtp? -82.78 -41.18 19.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.6 m -58.18 -36.41 73.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 57.3 mttt -59.94 -63.73 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -39.21 -51.45 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.441 HG22 HG11 ' A' ' 98' ' ' VAL . 25.2 t -57.23 -48.26 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 43' ' ' LEU . 11.7 mt-10 -53.01 -48.79 67.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -66.62 -40.0 88.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE2' HG23 ' A' ' 94' ' ' ILE . 48.6 t80 -54.07 -56.15 20.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD11 HD21 ' A' ' 47' ' ' LEU . 34.9 mt -50.41 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 77' ' ' ALA . 18.3 mt -35.49 -65.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.103 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -40.82 -51.5 3.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.644 ' CE ' HD21 ' A' ' 82' ' ' LEU . 29.5 mtm -60.07 -31.31 69.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ILE . . . -71.46 -55.62 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -47.9 -48.8 31.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -63.24 -48.92 76.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.63 40.17 1.13 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -92.05 -41.2 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.644 HD21 ' CE ' ' A' ' 76' ' ' MET . 17.7 mt -67.07 91.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.3 m -59.86 -54.26 48.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -125.97 165.43 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -53.76 158.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.442 HG13 ' HA3' ' A' ' 90' ' ' GLY . 84.5 t -107.27 125.77 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 88' ' ' GLU . 2.4 m -88.55 166.64 14.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.491 ' OE2' HD11 ' A' ' 92' ' ' ILE . 3.0 tm-20 -34.37 -54.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -51.25 -65.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.442 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -42.99 -45.9 6.09 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.1 tp -54.22 -70.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.745 0.307 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 95' ' ' LEU . 93.7 mt -39.45 -36.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.42 -38.91 78.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.58 HG23 ' CE2' ' A' ' 72' ' ' TYR . 96.0 mt -62.73 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -59.16 -19.67 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -84.75 -8.28 58.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -103.66 -46.68 4.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 98' ' ' VAL . 6.6 p -61.99 -12.96 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.8 p -68.45 -11.18 59.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -87.04 -53.67 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' THR . 11.1 pt20 41.04 42.25 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' GLN . 10.0 t 36.56 49.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.68 -55.15 24.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -59.05 168.88 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 66.9 p -117.43 38.45 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 54.8 m -39.43 -47.09 1.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.47 141.49 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.5 t -143.21 133.38 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.0 pttm -159.85 152.52 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -80.01 106.71 12.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -129.26 152.8 48.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -162.06 137.13 7.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.5 m -44.12 -52.51 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 133.62 -163.78 24.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -29.07 24.55 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m 59.09 42.01 19.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.4 t -104.34 -45.09 4.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -169.48 162.2 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.6 p -169.64 172.51 6.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.21 148.45 7.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -155.19 164.2 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.3 p -168.11 167.1 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.09 134.26 2.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.561 ' C ' HD12 ' A' ' 8' ' ' LEU . 3.7 pp -143.91 170.74 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.807 0.337 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 8' ' ' LEU . 6.4 ptm180 -148.19 120.87 8.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 34.6 mmm-85 -132.05 135.13 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -142.4 156.09 45.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 tpp85 -130.71 114.08 14.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -115.93 -24.58 8.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.99 139.96 8.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -127.62 120.87 29.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 16' ' ' LEU . 1.4 pt? -128.51 176.63 7.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -96.71 143.21 27.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.712 ' HB3' ' HB3' ' A' ' 22' ' ' ASP . . . -166.89 -179.5 4.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HA ' ' CE ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -121.51 -58.02 1.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -111.42 154.29 24.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 22' ' ' ASP . . . 72.11 -79.33 0.63 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.509 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.712 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 2.2 t70 -35.48 141.15 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.592 0.71 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLY . 54.1 Cg_endo -69.71 1.97 3.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.342 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -35.11 151.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 67.85 27.92 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 23' ' ' PRO . . . -89.45 -23.49 22.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.45 -22.78 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -54.05 -37.28 63.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -53.57 -32.95 53.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -71.35 -35.66 71.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.68 -55.79 5.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 ptmm? -62.02 -18.24 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -76.72 -22.56 53.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 -62.19 -22.4 65.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.24 -17.12 47.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.83 -16.28 28.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -89.41 -43.76 10.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG3' ' N ' ' A' ' 39' ' ' ARG . 4.3 ptp -66.18 -35.65 81.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' HB2' HD11 ' A' ' 74' ' ' ILE . 9.3 ptp180 -70.97 -35.34 72.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 34.5 m-20 -78.72 -15.81 58.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -92.08 -48.3 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.541 ' O ' HG22 ' A' ' 46' ' ' VAL . 24.7 mt -64.01 -19.25 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.8 mt -86.06 -28.46 24.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.67 -24.17 41.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.34 -36.68 20.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.631 HG23 ' HG ' ' A' ' 47' ' ' LEU . 28.9 m -85.27 -13.94 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.691 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -117.35 123.18 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 50' ' ' SER . 33.2 t70 -74.43 149.91 40.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' C ' ' O ' ' A' ' 48' ' ' ASP . 7.4 tt0 -34.56 -34.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' ASP . 63.4 p -65.29 -62.98 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.56 -48.03 66.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.401 HH21 ' CD1' ' A' ' 47' ' ' LEU . 3.3 mmp_? -41.76 -58.36 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -64.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -42.13 -47.02 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.555 HD13 HD11 ' A' ' 91' ' ' LEU . 20.6 tp -57.28 -64.46 0.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -44.41 -45.63 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -55.14 -42.98 73.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.621 HD22 HG23 ' A' ' 66' ' ' THR . 7.8 tt -58.39 -37.59 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.05 5.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -79.98 -54.4 5.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 62' ' ' LYS . 5.7 p -61.85 -44.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.442 ' N ' HG13 ' A' ' 61' ' ' VAL . 3.4 pttm -164.54 115.59 0.93 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -19.17 36.67 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -50.39 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.537 ' HB2' HD21 ' A' ' 58' ' ' LEU . 32.8 mmtt -39.41 -59.51 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.621 HG23 HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -41.55 -75.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 66' ' ' THR . 36.8 mtmt -34.97 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 65' ' ' LYS . . . -73.89 -49.71 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.095 HG21 HD23 ' A' ' 95' ' ' LEU . 89.5 t -62.95 -51.95 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -41.52 -43.32 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -71.58 -43.37 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.648 ' HE2' HG23 ' A' ' 94' ' ' ILE . 15.0 t80 -57.67 -47.7 81.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.691 HD13 HD21 ' A' ' 47' ' ' LEU . 24.9 mt -61.83 -47.71 83.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.454 HD11 ' HB2' ' A' ' 39' ' ' ARG . 54.9 mt -55.08 -52.16 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 76' ' ' MET . 9.9 pt20 -61.49 -34.88 76.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.435 ' CE ' HD21 ' A' ' 82' ' ' LEU . 23.9 mtm -62.69 -42.5 99.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.476 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -62.46 -51.27 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 30.3 mtp180 -43.54 -56.49 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -52.12 -55.41 21.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.77 25.58 2.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -82.07 -45.99 14.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD21 ' CE ' ' A' ' 76' ' ' MET . 12.5 mt -69.91 108.35 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 79.2 p -95.01 -52.26 4.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -104.84 164.24 11.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -67.24 127.87 34.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.38 128.01 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 88' ' ' GLU . 58.6 m -94.57 162.37 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 87' ' ' SER . 10.8 tt0 -34.52 -52.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -52.86 -59.05 4.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.4 -57.43 9.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.555 HD11 HD13 ' A' ' 55' ' ' LEU . 5.7 tp -46.19 -65.88 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.733 0.302 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.459 ' O ' ' CD ' ' A' ' 96' ' ' LYS . 67.4 mt -36.08 -46.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.82 -43.73 98.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.648 HG23 ' HE2' ' A' ' 72' ' ' TYR . 74.7 mt -58.95 -42.38 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.095 HD23 HG21 ' A' ' 69' ' ' VAL . 93.6 mt -53.13 -22.81 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.459 ' CD ' ' O ' ' A' ' 92' ' ' ILE . 0.3 OUTLIER -106.86 27.07 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -127.75 -46.85 1.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.49 -25.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.1 t -64.49 -58.27 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -46.68 -43.57 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -86.66 165.76 15.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.6 t -169.05 133.1 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -88.93 107.47 19.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -125.6 38.85 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.5 t -166.45 158.88 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 82.4 p -104.88 86.05 2.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 37.7 m -47.24 130.18 12.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.169 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.3 p -46.35 139.08 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.9 tptt -146.46 131.9 18.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -70.1 89.93 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -157.51 155.98 31.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.87 116.19 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.1 t -151.12 137.25 18.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 138.36 72.3 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.34 62.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.1 t -103.41 -61.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.7 t -103.48 112.68 25.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.509 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.38 173.01 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -145.19 174.77 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.28 -159.74 11.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -142.63 176.06 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.1 p -132.84 176.73 8.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.16 -149.21 6.97 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' N ' HH21 ' A' ' 9' ' ' ARG . 2.6 tt -130.62 150.82 51.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.479 HH21 ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -108.9 176.34 5.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.9 169.96 9.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -121.11 -176.11 3.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -85.8 177.73 7.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mp -131.02 174.44 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -118.29 176.14 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -106.33 -175.94 2.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.38 168.88 14.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -129.47 176.08 8.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.32 162.84 25.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -90.16 144.46 25.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -171.81 134.07 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -40.82 151.32 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.26 144.19 98.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.565 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 53.8 Cg_endo -69.77 -3.57 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.6 -127.68 8.74 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -65.88 -38.73 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.0 110.837 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 23' ' ' PRO . . . -40.17 -25.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 25' ' ' ASP . . . -90.74 -40.51 11.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 25' ' ' ASP . 4.8 pt20 -65.28 -29.37 70.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -85.15 -24.89 27.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -80.28 -47.59 14.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.31 -43.29 74.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.058 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -74.19 -17.58 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -75.63 -31.79 60.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.0 mmt85 -62.33 -31.44 72.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -63.3 -20.38 65.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.21 -20.87 20.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -82.4 -52.51 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.0 ptm -52.27 -47.52 65.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.612 ' HA ' HD12 ' A' ' 42' ' ' ILE . 39.3 ptt180 -62.38 -43.11 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -47.74 -48.93 29.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -69.46 -53.9 16.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 39' ' ' ARG . 30.0 mt -44.48 -36.87 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HG22 ' A' ' 46' ' ' VAL . 19.4 mt -74.05 -35.81 64.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.33 75.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 42' ' ' ILE . 13.1 pt20 -69.37 -34.39 74.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.55 ' CG1' HD13 ' A' ' 82' ' ' LEU . 35.2 m -84.71 -17.12 10.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD11 ' CD1' ' A' ' 73' ' ' LEU . 75.7 mt -116.41 123.62 47.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 49' ' ' GLN . 2.1 p-10 -79.63 156.68 27.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ASP . 27.9 tt0 -35.11 -60.67 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 m -41.74 -67.25 0.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -49.74 -56.04 11.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.1 -60.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.79 -39.95 75.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.064 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 51' ' ' ALA . 3.3 tmt_? -64.8 -34.52 78.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.559 HD21 ' OE1' ' A' ' 70' ' ' GLU . 13.9 tp -67.72 -58.64 4.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.2 t -52.96 -48.49 67.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -43.83 -46.21 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ALA . 12.3 tp -54.81 -48.9 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' LEU . . . -34.88 -35.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' LEU . 13.0 mt -66.86 -56.46 10.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.03 -64.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -141.65 114.61 6.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.603 0.716 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 64' ' ' GLU . 53.5 Cg_endo -69.74 -43.66 2.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 63' ' ' PRO . 6.2 tt0 -34.55 -54.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 66' ' ' THR . 0.0 OUTLIER -59.38 -64.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 65' ' ' LYS . 0.4 OUTLIER -35.73 -43.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -59.21 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.79 -49.85 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.779 HG21 HD23 ' A' ' 95' ' ' LEU . 60.4 t -53.92 -62.95 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.559 ' OE1' HD21 ' A' ' 55' ' ' LEU . 5.7 mm-40 -39.78 -38.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -83.54 -31.09 26.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.655 ' CG ' HG12 ' A' ' 98' ' ' VAL . 11.6 t80 -67.5 -38.84 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.605 ' CD1' HD11 ' A' ' 47' ' ' LEU . 38.4 mt -68.18 -59.59 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 73' ' ' LEU . 58.5 mt -36.87 -61.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -42.16 -54.59 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.448 ' HG2' ' NE2' ' A' ' 81' ' ' GLN . 45.0 mtm -53.98 -35.35 61.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.514 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -68.73 -57.21 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.4 mtp-105 -43.03 -58.37 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.03 -28.69 69.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 85.01 30.93 24.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.531 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.448 ' NE2' ' HG2' ' A' ' 76' ' ' MET . 4.3 pt20 -83.71 -16.17 45.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.55 HD13 ' CG1' ' A' ' 46' ' ' VAL . 30.0 mt -66.64 138.66 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -88.75 -55.88 3.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -157.67 170.9 21.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 31.9 mttm -40.39 122.13 1.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.0 132.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 88' ' ' GLU . 14.4 m -98.33 162.09 13.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 87' ' ' SER . 13.7 tt0 -34.6 -60.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -46.77 -54.54 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.63 -50.2 61.68 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.7 tp -53.37 -64.7 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.918 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.42 HG12 ' NE ' ' A' ' 54' ' ' ARG . 80.4 mt -36.75 -47.55 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -58.55 -40.48 83.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 97' ' ' LYS . 61.3 mt -57.31 -53.07 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.779 HD23 HG21 ' A' ' 69' ' ' VAL . 61.9 mt -38.69 -44.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -67.58 -36.36 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 94' ' ' ILE . 6.5 mtpm? -68.91 -60.23 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.655 HG12 ' CG ' ' A' ' 72' ' ' TYR . 1.1 m -45.64 -21.2 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.169 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -50.55 -32.17 17.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -49.98 -41.15 46.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -115.21 171.31 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 103' ' ' GLU . 10.3 t -111.98 -43.09 3.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 102' ' ' THR . 43.2 mm-40 -153.62 178.58 9.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.5 tttt -60.79 -58.22 9.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.1 t -113.07 151.12 31.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 63.4 p -106.57 -24.29 12.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 78.2 p -53.99 141.49 27.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 66.2 t -132.0 105.84 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -58.68 137.39 57.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -118.64 114.3 22.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.49 146.26 46.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -97.56 147.34 24.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 62.7 p -65.1 175.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -126.06 78.94 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.91 3.22 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.8 t -140.04 161.41 37.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.4 m -89.52 174.42 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -168.36 165.61 12.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.84 0.352 . . . . 0.0 110.846 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 p -171.81 176.03 3.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.21 -170.36 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -173.59 166.6 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 110.82 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -166.05 171.72 12.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.41 178.08 43.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.462 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.81 172.39 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -135.85 156.69 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 ttp180 -149.27 162.19 40.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -167.32 143.37 4.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -165.2 116.98 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.2 tp -119.04 124.89 48.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.955 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -166.74 145.54 5.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -133.48 135.46 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.7 mt -146.51 175.39 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -66.49 153.71 42.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' HD3' ' A' ' 19' ' ' LYS . . . -123.62 112.13 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -142.83 152.54 42.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -119.04 177.61 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.59 -28.24 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.95 156.08 0.77 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.721 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -12.2 32.43 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.328 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.83 -32.99 42.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -42.07 -42.5 2.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.09 -52.02 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.2 -50.68 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -40.15 -46.55 2.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HA ' ' CG ' ' A' ' 32' ' ' LYS . 12.9 mm100 -45.46 -47.15 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -54.42 -42.06 70.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.79 -63.89 1.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' CG ' ' HA ' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -43.25 -25.63 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -66.12 -49.22 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -61.42 -29.99 70.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -80.74 -17.77 49.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.11 -24.18 47.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -89.39 -64.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 12.5 ptm -46.37 -42.51 15.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.62 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.2 ptt180 -67.07 -43.46 82.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 3.9 t-20 -50.39 -40.05 48.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -73.48 -35.72 65.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 39' ' ' ARG . 20.5 mt -68.05 -39.21 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 70' ' ' GLU . 48.2 mt -73.25 -30.95 63.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.85 71.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.19 -37.46 72.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' HG ' ' A' ' 47' ' ' LEU . 35.5 m -80.89 -18.71 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.54 HD21 ' CD1' ' A' ' 73' ' ' LEU . 90.4 mt -114.15 122.92 48.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 49' ' ' GLN . 9.0 t0 -78.63 153.78 30.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 48' ' ' ASP . 35.1 tt0 -35.29 -37.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -59.71 -72.33 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.06 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 52' ' ' ARG . 4.7 mmm180 -46.62 -52.7 13.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.86 -53.79 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -50.17 -40.6 47.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.49 -66.31 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -44.74 -30.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -70.24 -43.55 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.637 HD12 HD13 ' A' ' 95' ' ' LEU . 2.3 tt -55.18 -29.91 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.0 -18.88 3.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.4 mt -80.81 -73.46 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -52.18 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 2.4 pttt -152.62 115.14 2.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.609 0.718 . . . . 0.0 110.891 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 54.0 Cg_endo -69.78 -50.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 65' ' ' LYS . 11.0 pt-20 -45.43 -53.45 8.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.501 ' HG2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -51.61 -44.64 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.94 -59.54 4.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 68' ' ' ALA . 40.2 mttp -45.19 -65.85 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -34.44 -59.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.761 HG21 HD23 ' A' ' 95' ' ' LEU . 99.7 t -48.76 -49.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.564 ' HB3' HD11 ' A' ' 43' ' ' LEU . 49.2 mt-10 -52.36 -52.06 55.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.709 ' HA ' HD12 ' A' ' 74' ' ' ILE . 29.1 m-20 -60.32 -32.78 71.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -63.36 -58.24 7.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' CD1' HD21 ' A' ' 47' ' ' LEU . 86.7 mt -54.62 -35.27 63.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' A' ' 71' ' ' ASN . 27.7 mt -62.34 -65.05 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' MET . 3.6 pt20 -46.01 -34.45 4.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' GLN . 24.8 mtm -74.78 -43.66 53.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' ARG . . . -56.49 -62.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' ALA . 32.0 mtp85 -37.95 -60.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -51.04 -39.32 55.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 98.02 52.17 1.41 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -103.01 -21.85 13.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.69 -73.82 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.6 m 61.19 30.95 19.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -169.65 -179.79 3.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -99.9 104.84 16.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.18 139.36 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.8 m -94.22 150.79 19.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -38.91 -45.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -46.18 75.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.77 -50.84 60.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.534 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 54' ' ' ARG . 6.0 tp -51.85 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' LEU . 32.3 mt -34.75 -49.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -66.4 -51.65 54.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 57.7 mt -47.71 -41.34 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.761 HD23 HG21 ' A' ' 69' ' ' VAL . 59.7 mt -49.74 -44.56 48.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.37 23.36 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -118.36 -45.51 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.528 HG11 HG22 ' A' ' 69' ' ' VAL . 7.5 p -60.95 -26.67 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 t -57.31 -51.43 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.442 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 8.8 mm-40 -63.11 -46.52 86.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -48.39 140.02 8.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -43.79 153.06 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -142.94 140.0 30.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -65.05 150.57 47.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.8 t -107.65 163.2 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.4 p -152.01 -176.11 5.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.1 t -96.8 139.23 33.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.1 p -68.81 142.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -99.78 -29.28 12.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -170.2 159.76 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -126.66 128.87 47.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -104.63 143.15 33.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 67.3 m -105.24 127.57 53.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.57 168.11 13.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 142.89 49.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.654 2.236 . . . . 0.0 112.335 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.0 p -72.94 -49.53 28.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.807 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.8 m -48.93 -50.12 36.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -141.29 177.71 7.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t -131.8 177.28 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.46 -59.32 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t 68.07 42.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -52.88 177.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.477 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -120.16 -163.6 12.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.477 HD12 ' C ' ' A' ' 7' ' ' GLY . 4.5 mp -148.26 178.94 8.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.97 173.13 7.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 -139.45 168.7 19.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -105.69 174.98 5.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 51.7 mtt-85 -149.51 178.16 9.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.6 pt? -105.35 168.58 8.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.13 114.66 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -77.77 148.32 34.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 37.6 mt -157.0 122.06 4.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -113.81 177.99 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -95.4 170.88 9.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.1 pttm -174.06 145.16 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -40.43 133.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.827 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.63 93.74 0.2 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.54 151.72 64.4 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' GLY . 53.8 Cg_endo -69.69 1.55 4.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' PRO . . . -33.47 -47.9 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -38.31 -57.65 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.34 -46.09 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.28 -57.67 8.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -42.55 -57.47 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -48.29 -34.98 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -77.79 -41.69 36.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 33' ' ' HIS . . . -64.69 -61.75 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -40.84 -26.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.58 ' CD2' ' HG3' ' A' ' 37' ' ' GLU . 84.4 t60 -92.02 -42.75 9.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 34' ' ' ARG . 5.4 mmm180 -50.05 -59.31 4.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -46.59 -30.66 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 39' ' ' ARG . . . -91.58 -20.17 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 33' ' ' HIS . 13.2 mm-40 -77.72 -33.87 52.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 42' ' ' ILE . 10.7 ptm -79.36 -47.02 16.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.425 ' CD ' ' HA ' ' A' ' 36' ' ' ALA . 29.4 ptt180 -58.41 -33.67 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -84.19 -18.68 35.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -80.22 -55.82 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.727 HD12 ' O ' ' A' ' 38' ' ' MET . 4.9 mp -62.96 -27.77 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HA ' HG22 ' A' ' 46' ' ' VAL . 35.3 mt -82.55 -31.3 29.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -26.43 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -83.82 -33.7 24.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 82' ' ' LEU . 35.3 m -85.98 -15.82 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.577 HD21 HD11 ' A' ' 73' ' ' LEU . 98.1 mt -115.15 117.51 30.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -79.28 164.06 24.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -40.87 -34.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -64.47 -70.2 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' ARG . . . -50.37 -52.88 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.134 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ALA . 1.2 mmp_? -36.84 -50.53 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.35 -54.53 31.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -48.66 -43.32 36.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tp -64.35 -61.59 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 1.4 t -40.36 -45.13 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -55.46 -46.61 76.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.6 tp -56.6 -31.97 64.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 56' ' ' SER . . . -56.68 -22.5 35.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.049 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -82.47 -74.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 62' ' ' LYS . 7.6 p -44.0 -48.22 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.524 ' N ' HG13 ' A' ' 61' ' ' VAL . 1.4 pttt -160.86 105.01 1.28 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' THR . 54.3 Cg_endo -69.75 -41.38 4.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.662 2.242 . . . . 0.0 112.36 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -37.47 -53.53 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -61.39 -39.32 90.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 63' ' ' PRO . 1.7 m -61.01 -44.18 97.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -55.15 -52.58 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.24 -47.54 65.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.775 HG21 ' CD2' ' A' ' 95' ' ' LEU . 88.1 t -58.84 -58.12 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -47.01 -39.01 11.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.55 -27.37 58.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.487 ' CE2' HG23 ' A' ' 94' ' ' ILE . 40.3 t80 -72.62 -42.79 64.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD11 HD21 ' A' ' 47' ' ' LEU . 44.8 mt -66.82 -41.19 87.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.8 mt -58.81 -48.81 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 76' ' ' MET . 7.6 pt20 -63.96 -35.12 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.433 ' HB3' ' CD1' ' A' ' 82' ' ' LEU . 33.8 mtm -69.99 -40.03 75.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' CB ' ' CG2' ' A' ' 42' ' ' ILE . . . -63.94 -59.19 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.3 mtp-105 -47.62 -46.61 28.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -62.09 -47.58 84.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 42.16 1.4 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -96.59 -27.74 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.601 HD22 ' CG1' ' A' ' 46' ' ' VAL . 5.3 mp -73.39 150.02 42.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 m -117.66 -49.88 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -132.02 178.28 6.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -66.6 127.33 31.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.4 t -72.14 128.2 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 88' ' ' GLU . 89.8 p -99.36 164.33 12.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.6 tt0 -34.66 -61.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -48.05 -50.65 27.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.98 -51.86 55.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' ILE . 5.9 tp -46.41 -65.13 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 95' ' ' LEU . 83.0 mt -38.4 -45.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.23 -37.6 87.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' LEU . 65.8 mt -65.36 -37.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.775 ' CD2' HG21 ' A' ' 69' ' ' VAL . 52.6 mt -56.7 -21.46 27.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -95.63 -11.25 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -94.04 -34.94 12.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.68 -19.4 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.056 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.7 t -56.93 -36.76 70.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -53.79 -39.04 65.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -55.71 -55.07 36.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 t 37.49 39.64 0.19 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 2.5 mp0 64.63 50.9 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -65.04 -45.55 84.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 106' ' ' THR . 57.7 p 39.32 40.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 105' ' ' THR . 48.6 p -35.94 139.96 0.13 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.2 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 47.9 p -70.87 106.52 3.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.3 m -140.81 170.28 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -171.82 136.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.445 ' N ' ' HD2' ' A' ' 109' ' ' LYS . 27.8 m-85 -114.87 136.27 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -101.27 134.1 44.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -167.94 134.62 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 55.9 m -124.99 166.44 16.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -133.16 157.0 22.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -48.48 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.709 2.273 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.9 m -42.73 142.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.3 160.92 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -165.02 108.09 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.378 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -164.09 150.89 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.12 -176.83 2.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -111.5 -60.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.7 p -168.96 170.65 8.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' C ' HD12 ' A' ' 8' ' ' LEU . . . -135.33 -163.5 10.08 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.48 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.553 HD12 ' C ' ' A' ' 7' ' ' GLY . 5.6 mp -148.97 112.4 5.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -106.83 75.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.83 128.86 55.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -132.81 167.26 20.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -111.58 110.44 20.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 tp -146.45 152.45 39.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.653 ' HB1' HD23 ' A' ' 16' ' ' LEU . . . -164.99 175.64 9.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 4.11 3.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.653 HD23 ' HB1' ' A' ' 14' ' ' ALA . 3.7 mm? -41.48 115.37 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -139.94 127.34 21.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -163.39 160.78 23.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -99.38 135.11 41.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -73.28 -56.38 5.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 69.7 50.63 29.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.16 154.26 67.6 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -14.56 36.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.735 2.29 . . . . 0.0 112.336 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.02 -54.19 3.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' C ' ' OE1' ' A' ' 29' ' ' GLN . 1.4 p30 -43.0 -49.79 5.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.813 0.34 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -43.96 -38.41 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.6 -44.52 96.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -64.5 -48.15 76.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' OE1' ' C ' ' A' ' 25' ' ' ASP . 7.1 mp0 -61.39 -51.38 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -51.74 -40.27 59.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.33 -69.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -42.17 -30.0 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -57.74 -50.07 74.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 37' ' ' GLU . 25.9 mmm-85 -52.72 -43.89 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -46.75 -35.41 6.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.25 -25.14 46.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.091 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ARG . 40.7 mt-10 -77.17 -54.5 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.8 ptm -57.14 -52.12 66.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HA ' HD12 ' A' ' 42' ' ' ILE . 17.8 ptt180 -55.56 -43.25 75.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 39' ' ' ARG . 31.7 m-20 -49.91 -54.86 17.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.0 m -61.25 -30.94 70.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 46' ' ' VAL . 36.8 mt -72.51 -37.17 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.513 ' HA ' HG22 ' A' ' 46' ' ' VAL . 40.8 mt -79.03 -27.86 43.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -30.2 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -82.89 -38.31 23.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 ' HG ' ' A' ' 47' ' ' LEU . 30.7 m -80.36 -16.66 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 73' ' ' LEU . 21.5 mt -120.6 124.34 45.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -73.62 166.01 24.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.8 tm0? -49.07 -40.91 33.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.2 t -59.85 -66.33 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -49.7 -51.76 36.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.73 HH21 HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -37.16 -55.4 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.07 -51.84 60.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt85 -50.46 -47.49 56.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD23 HH21 ' A' ' 52' ' ' ARG . 18.5 tp -60.05 -58.5 8.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.0 t -51.09 -37.17 44.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -58.06 -35.66 71.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 61' ' ' VAL . 8.2 tp -74.54 -24.49 58.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.04 -35.18 59.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.46 -69.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' H ' ' A' ' 62' ' ' LYS . 2.5 m -45.42 -57.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.629 ' H ' HG23 ' A' ' 61' ' ' VAL . 6.1 pttt -149.0 105.07 3.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -33.76 15.84 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -43.12 -72.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.617 ' O ' HG23 ' A' ' 69' ' ' VAL . 21.4 mmtm -42.96 -45.18 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.58 -45.31 77.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mttm -54.65 -63.46 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.5 -61.45 2.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.863 HG21 HD23 ' A' ' 95' ' ' LEU . 80.4 t -41.18 -53.53 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -47.19 -52.36 15.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' ' 74' ' ' ILE . 17.8 t30 -61.77 -22.03 65.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 10.7 t80 -80.73 -53.67 6.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.998 HD13 HD21 ' A' ' 47' ' ' LEU . 51.6 mt -57.24 -13.6 3.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 71' ' ' ASN . 84.5 mt -85.67 -55.99 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.46 ' O ' ' CD2' ' A' ' 79' ' ' TYR . 6.9 pt20 -46.92 -42.76 18.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.819 ' SD ' HD21 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.45 -40.51 96.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.727 ' HA ' HD12 ' A' ' 82' ' ' LEU . . . -61.41 -49.65 76.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -56.13 -47.35 78.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.46 ' CD2' ' O ' ' A' ' 75' ' ' GLN . 12.3 m-85 -57.8 -38.68 75.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.39 29.57 8.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -88.83 -30.91 18.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.819 HD21 ' SD ' ' A' ' 76' ' ' MET . 10.6 mt -61.19 115.22 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 t -76.97 -50.44 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -146.96 172.29 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -46.81 128.19 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 124.55 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -81.9 158.5 23.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.51 ' OE2' HD11 ' A' ' 92' ' ' ILE . 7.0 tm-20 -39.29 -55.88 1.63 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -51.03 -57.4 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.35 -48.56 40.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.571 HD13 HD22 ' A' ' 47' ' ' LEU . 6.1 tp -55.38 -56.72 16.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.51 HD11 ' OE2' ' A' ' 88' ' ' GLU . 96.0 mt -43.8 -42.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -62.94 -55.28 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -49.9 -47.74 22.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.863 HD23 HG21 ' A' ' 69' ' ' VAL . 10.7 mt -43.73 -37.21 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 37.44 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -133.15 -38.36 0.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 5.2 p -62.21 -34.26 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 -43.95 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -45.44 -41.88 9.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.02 123.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.3 t -53.33 129.24 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -124.19 43.45 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -39.37 -34.45 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 105' ' ' THR . 8.0 t -161.57 124.23 3.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.0 p -62.16 158.91 15.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.599 HG23 HG22 ' A' ' 108' ' ' VAL . 8.5 t -54.78 -44.09 73.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 107' ' ' THR . 35.4 m -145.54 140.52 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -94.64 -52.57 4.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -115.0 121.25 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -81.38 87.81 6.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.9 142.08 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.8 m -141.36 147.51 38.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 158.58 84.78 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.436 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 178.46 4.54 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 65.8 p -159.25 178.22 10.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.0 t -80.1 150.33 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.525 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -155.43 151.16 27.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.86 0.362 . . . . 0.0 110.895 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 t -62.78 97.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.824 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.88 110.15 1.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.445 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t -93.98 136.81 33.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -159.72 164.4 33.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.588 ' C ' HD13 ' A' ' 8' ' ' LEU . . . -151.35 173.83 30.67 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.869 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -133.87 66.71 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.777 0.322 . . . . 0.0 110.927 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 54.68 34.71 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.2 mtt-85 -153.18 139.61 18.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 12' ' ' ARG . 51.2 mm-40 -109.92 166.11 11.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.657 ' H ' ' NE ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -114.56 174.5 5.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' HD23 ' A' ' 13' ' ' LEU . 2.2 pt? -173.03 165.23 4.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -174.79 153.6 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -152.09 159.52 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.5 mt -118.54 94.86 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' HG2' ' N ' ' A' ' 18' ' ' ALA . 3.6 pm0 -59.31 -35.97 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 17' ' ' GLN . . . -172.02 149.25 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.087 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -91.44 94.75 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.66 49.36 1.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.15 51.44 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -106.54 161.27 23.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 24' ' ' GLY . 54.0 Cg_endo -69.72 1.46 4.39 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.354 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 27' ' ' ALA . . . -35.12 -49.18 0.82 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -37.94 -52.99 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.875 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.28 16.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -80.48 -50.32 10.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' CD ' ' C ' ' A' ' 28' ' ' GLN . 3.6 tm0? -41.68 -55.11 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -49.84 -34.74 20.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.8 -44.29 41.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.35 -58.75 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 27.2 pttt -47.37 -32.71 5.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.409 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 24.4 t-80 -61.74 -52.43 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 37' ' ' GLU . 7.5 mmt180 -45.12 -49.57 11.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' O ' ' CD ' ' A' ' 39' ' ' ARG . 59.8 tt0 -39.59 -35.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.15 -35.61 28.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' ARG . 37.3 mt-10 -63.51 -51.81 63.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.433 ' O ' HD12 ' A' ' 42' ' ' ILE . 18.8 ptm -54.92 -46.39 74.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASN . 24.9 mtp180 -63.41 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' ARG . 91.9 m-20 -34.43 -60.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 t -49.57 -62.03 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.542 ' O ' HG13 ' A' ' 46' ' ' VAL . 21.7 mt -45.22 -38.78 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.32 -25.29 54.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.057 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -82.56 -32.13 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 42' ' ' ILE . 29.4 m -86.41 -30.74 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.7 HD21 HD11 ' A' ' 73' ' ' LEU . 65.6 mt -93.49 160.32 14.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -117.22 162.81 17.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -40.82 -37.03 0.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 31.6 m -62.51 -63.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -53.93 -50.7 65.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ALA . 5.4 mmm180 -35.36 -56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.31 -64.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -45.81 -55.57 6.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 tp -49.87 -52.03 35.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.2 m -52.64 -59.91 3.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -54.04 -40.31 66.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.451 HD21 ' HD2' ' A' ' 62' ' ' LYS . 3.5 tt -59.35 -24.64 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.67 -26.02 64.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.8 mt -76.22 -55.92 5.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG13 ' HG3' ' A' ' 62' ' ' LYS . 3.3 p -65.01 -54.25 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.562 ' HG3' HG13 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -135.03 87.64 28.82 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.615 0.721 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.241 . . . . 0.0 112.313 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -50.25 -26.86 5.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -80.05 -53.75 6.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -37.48 -58.4 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' ALA . 33.6 mttp -42.72 -66.25 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' LYS . . . -36.41 -51.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.039 HG22 HG11 ' A' ' 98' ' ' VAL . 96.3 t -54.57 -50.78 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -42.6 -52.92 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.496 ' HA ' HD12 ' A' ' 74' ' ' ILE . 50.8 t30 -57.61 -42.12 82.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -55.37 -39.67 70.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.7 HD11 HD21 ' A' ' 47' ' ' LEU . 51.1 mt -69.74 -54.44 13.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 71' ' ' ASN . 68.5 mt -42.02 -57.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -46.9 -52.1 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.1 mtm -56.08 -39.01 71.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -57.24 -63.35 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -46.17 -47.31 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -55.48 -40.44 71.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.1 50.38 2.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -110.05 -40.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.891 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 86' ' ' VAL . 14.7 mt -64.38 92.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -62.42 -48.56 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -124.98 164.32 20.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -56.69 119.29 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' HD22 ' A' ' 82' ' ' LEU . 64.3 t -53.21 129.2 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 88' ' ' GLU . 5.3 t -97.58 164.38 12.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 87' ' ' SER . 7.4 tt0 -34.39 -56.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -47.56 -58.26 4.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.46 -50.32 48.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 51' ' ' ALA . 4.5 tp -51.28 -61.58 2.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.762 HG22 ' NZ ' ' A' ' 96' ' ' LYS . 38.6 mt -39.19 -41.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -65.85 -58.33 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.622 ' O ' HG12 ' A' ' 98' ' ' VAL . 84.9 mt -48.0 -38.98 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.822 HD23 HG21 ' A' ' 69' ' ' VAL . 23.7 mt -51.16 -33.67 28.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.762 ' NZ ' HG22 ' A' ' 92' ' ' ILE . 2.9 mppt? -79.13 -19.38 51.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.487 ' HE3' ' CB ' ' A' ' 96' ' ' LYS . 0.1 OUTLIER -87.98 -52.65 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 1.039 HG11 HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -50.3 -37.46 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 t -40.62 -44.38 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.478 ' O ' HG22 ' A' ' 102' ' ' THR . 13.9 mm-40 -44.99 -46.42 11.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 50.41 39.51 20.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.478 HG22 ' O ' ' A' ' 100' ' ' GLN . 1.6 t -151.87 123.88 8.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 104' ' ' LYS . 14.2 tt0 -141.18 173.1 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 105' ' ' THR . 69.6 mttt -35.12 128.34 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 104' ' ' LYS . 9.6 t -34.19 143.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.448 ' O ' HG23 ' A' ' 106' ' ' THR . 8.9 t -151.33 123.92 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' VAL . 6.8 t -65.72 147.36 53.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' THR . 99.8 t -36.59 -62.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -73.99 178.63 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -115.73 -45.22 2.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -174.12 156.42 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 16.8 ptt-85 -101.44 108.19 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.81 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.2 t -174.3 118.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -152.59 67.76 0.32 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 96.62 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.342 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.0 p 40.75 41.24 1.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.9 t -123.74 145.57 48.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.811 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -169.34 156.38 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.838 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -164.46 177.36 8.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.95 -134.29 2.97 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.7 p -172.46 151.11 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.379 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 p -107.91 174.6 5.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.84 -150.72 27.22 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 tp -161.5 144.88 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -72.7 138.3 46.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -127.16 167.99 15.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -154.34 124.93 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.411 ' O ' HD23 ' A' ' 13' ' ' LEU . 11.9 mtp180 -147.89 123.43 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 12' ' ' ARG . 92.2 mt -154.27 151.6 29.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.26 151.89 37.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -49.73 145.36 5.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -114.96 145.4 42.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -130.4 117.61 19.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -131.74 174.1 10.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -89.93 168.82 11.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -48.93 -43.99 40.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.64 125.23 6.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.6 152.49 5.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.561 0.696 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 2.23 3.77 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -39.06 -44.53 2.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -40.75 -57.03 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -42.1 -42.04 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.88 -45.48 74.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -44.94 -52.36 8.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -63.8 -33.36 75.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -68.38 -40.34 81.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.57 -60.18 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 9.2 ptmm? -53.95 -43.47 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' N ' ' HG3' ' A' ' 32' ' ' LYS . 6.8 t-80 -49.18 -57.69 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' GLU . 17.4 mmm180 -48.41 -48.03 37.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -43.35 -35.48 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.42 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ARG . 5.7 mm-40 -72.94 -39.73 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.559 ' C ' HD12 ' A' ' 42' ' ' ILE . 1.5 mtm -68.48 -51.48 42.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -55.03 -39.35 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -59.29 -56.29 24.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 t -65.3 -56.01 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 46' ' ' VAL . 19.6 mt -44.28 -28.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.542 HD21 HG13 ' A' ' 74' ' ' ILE . 28.4 mt -83.16 -36.14 24.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.96 -30.56 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -76.43 -36.52 57.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 42' ' ' ILE . 27.5 m -83.32 -15.78 11.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 91' ' ' LEU . 21.2 mt -113.43 113.06 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' GLN . 17.1 t0 -67.75 150.88 48.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ASP . 22.4 tt0 -37.0 -37.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.5 m -63.97 -68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.834 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 91' ' ' LEU . . . -52.27 -43.51 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -41.35 -57.73 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ARG . . . -46.54 -69.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 57' ' ' ASN . 8.9 tpt180 -36.61 -64.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.785 HD21 ' CG ' ' A' ' 70' ' ' GLU . 15.8 tp -37.61 -40.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.7 t -69.05 -43.65 74.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -56.04 -42.42 76.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.687 HD11 ' NZ ' ' A' ' 62' ' ' LYS . 12.4 tp -62.62 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.95 -11.56 8.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 28.8 mt -94.26 -60.94 1.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.507 HG22 ' HG2' ' A' ' 62' ' ' LYS . 4.9 p -61.75 -40.34 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.687 ' NZ ' HD11 ' A' ' 58' ' ' LEU . 4.5 pttp -166.12 105.0 0.7 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.565 0.698 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 62' ' ' LYS . 53.8 Cg_endo -69.79 -37.38 9.18 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.634 2.223 . . . . 0.0 112.363 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' PRO . 28.9 tt0 -37.61 -65.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG23 ' A' ' 69' ' ' VAL . 8.3 mmmt -50.0 -53.41 26.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.4 m -43.73 -54.53 5.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mttm -49.47 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.47 -57.69 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.556 HG21 ' HG ' ' A' ' 95' ' ' LEU . 47.6 t -51.35 -45.85 33.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.785 ' CG ' HD21 ' A' ' 55' ' ' LEU . 28.2 mt-10 -60.2 -52.23 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -64.81 -25.97 68.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -66.58 -39.67 88.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.543 HD21 HD13 ' A' ' 94' ' ' ILE . 52.2 mt -71.77 -51.03 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.542 HG13 HD21 ' A' ' 43' ' ' LEU . 91.1 mt -40.76 -60.27 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -48.6 -55.35 11.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 36.4 mtm -53.77 -39.02 65.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.435 ' HB2' HG11 ' A' ' 46' ' ' VAL . . . -59.4 -51.35 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -47.69 -53.6 14.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -63.26 -28.13 69.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.98 37.5 7.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -84.46 -37.69 21.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.369 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.457 ' CD2' ' HB ' ' A' ' 46' ' ' VAL . 4.9 mp -53.92 116.11 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 55.0 m -67.57 -49.11 64.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -157.31 163.62 38.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -38.01 137.34 0.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.9 t -85.27 135.76 24.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 88' ' ' GLU . 90.7 p -102.41 160.35 14.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 87' ' ' SER . 31.2 tt0 -36.55 -45.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -56.29 -68.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -45.04 -57.22 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.51 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.732 ' O ' HD12 ' A' ' 95' ' ' LEU . 5.4 tp -40.09 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.593 ' HA ' HD13 ' A' ' 95' ' ' LEU . 61.6 mt -39.96 -44.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -67.44 -33.59 75.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.543 HD13 HD21 ' A' ' 73' ' ' LEU . 53.4 mt -62.11 -50.4 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.732 HD12 ' O ' ' A' ' 91' ' ' LEU . 5.4 mp -49.71 -35.8 23.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.522 ' HE2' HG22 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -83.66 20.72 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -129.15 -42.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.503 HG11 HG22 ' A' ' 69' ' ' VAL . 3.0 p -60.52 -26.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.0 t -91.91 -57.32 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' A' ' 102' ' ' THR . 1.7 tp-100 -53.03 -51.85 60.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 49.28 32.22 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.507 HG22 ' HG3' ' A' ' 100' ' ' GLN . 15.1 t -165.07 178.97 6.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -127.78 35.3 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -89.92 -49.14 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.3 t -129.97 146.95 51.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 24.5 p -85.66 -55.0 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 13.0 t -165.08 141.19 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 40.9 t -142.47 117.12 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.5 pttt -137.38 138.25 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -120.59 124.28 44.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -111.89 165.75 11.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -157.39 119.7 3.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.5 m -137.77 158.78 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -158.89 72.82 0.23 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -35.8 11.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.275 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.8 m -45.6 110.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.8 m -120.94 -62.46 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.992 . . . . . . . . 0 0 . 1 stop_ save_