data_2eli_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 2eli _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 ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.979 0.419 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -43.64 150.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -85.15 138.29 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -97.75 39.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 28.5 m-85 -57.08 134.57 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -129.61 125.58 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 7.8 tp -59.59 116.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.495 ' CD2' ' H ' ' A' ' 24' ' ' THR . 11.2 t-160 -145.08 163.05 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.495 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 80.1 p -95.42 159.11 15.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -121.98 156.33 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.28 -17.84 14.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -122.69 160.77 47.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.713 0.768 . . . . 0.0 110.786 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.25 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.75 156.09 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 37' ' ' LEU . 90.3 m-85 -116.58 136.66 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 39.0 t -47.6 159.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -101.19 -28.99 12.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -77.85 -71.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 p -79.84 -36.27 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.4 63.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LEU . 70.9 m -140.06 138.26 35.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -37.33 135.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -102.83 99.35 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -97.35 172.63 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.95 153.12 7.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -50.05 5.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.51 129.69 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 29.4 m170 65.95 45.61 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.02 -60.88 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.4 -160.42 8.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtp -128.49 148.65 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -134.8 127.38 30.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.6 t -67.51 165.55 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -105.0 -13.77 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.0 t -106.8 -43.73 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' ASP . 21.3 p -108.97 2.8 21.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.1 m-20 33.14 54.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.9 ttp -98.26 116.36 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -79.01 120.6 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -146.82 151.91 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 48.4 m80 -59.45 156.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 27.7 tttt -62.51 -29.14 70.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -92.71 -10.69 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.0 m -87.75 -24.38 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' LYS . 3.5 m -57.24 -33.93 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 tt -71.09 -28.34 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -83.59 -37.56 22.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.4 t -53.95 135.41 57.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.1 Cg_endo -69.73 119.98 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' PRO . 76.9 p -36.17 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.5 mm? -39.11 101.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 26.3 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.28 159.68 15.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 32.9 m-70 -99.35 140.94 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -110.15 34.46 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -46.65 109.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -109.79 127.4 54.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.74 118.77 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -143.15 162.42 35.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -95.24 140.55 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.6 m-85 -106.48 113.41 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.1 -11.11 17.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.5 p -136.46 154.78 77.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 98.2 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.9 158.46 15.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CE1' HD22 ' A' ' 37' ' ' LEU . 47.0 m-85 -107.84 130.85 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 48.7 t -47.57 156.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.72 -25.48 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -78.19 -71.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -79.77 -47.33 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.88 58.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LEU . 44.0 m -138.51 126.48 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tm? -35.53 132.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mt -84.71 108.29 17.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.73 154.01 22.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.71 154.68 10.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -45.68 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.7 142.95 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.8 m170 54.31 44.8 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.99 -54.35 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.56 -153.75 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtp -126.82 142.57 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -129.44 125.69 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.66 165.45 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.32 -12.84 15.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.416 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 2.8 t -107.87 -37.58 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.403 ' N ' HG21 ' A' ' 50' ' ' THR . 14.1 p -114.57 -5.54 12.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 39.97 54.56 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 55' ' ' VAL . 27.1 ttp -101.25 105.75 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -63.2 129.39 40.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG1' ' HE3' ' A' ' 53' ' ' MET . 18.6 m -157.25 144.33 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 52.1 m80 -56.96 163.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -66.92 -28.85 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.47 -7.97 45.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.15 -31.84 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.0 m -55.14 -37.1 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.445 HG21 ' N ' ' A' ' 62' ' ' ASN . 14.3 tt -67.68 -23.42 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' HG21 ' A' ' 61' ' ' ILE . 14.6 m-80 -84.46 -37.3 21.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 97.4 t -60.41 138.62 92.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.3 Cg_endo -69.8 137.59 35.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' PRO . 93.4 p -34.05 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 mt -47.84 144.85 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.416 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 4.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.0 mmtm -34.71 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -78.42 158.19 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.98 33.5 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -51.69 126.59 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.27 131.23 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 6.7 tp -59.75 114.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.97 162.52 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 25' ' ' TYR . 27.7 m -96.3 145.45 25.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -116.26 156.5 26.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.37 -8.1 33.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 m -133.65 159.02 74.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -94.32 156.64 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 44.5 m-85 -116.73 124.09 48.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -43.26 159.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -105.79 -29.96 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -75.06 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -83.81 -42.25 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.74 61.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -139.63 133.48 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -42.78 135.26 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 56' ' ' HIS . 82.0 mt -88.28 120.66 29.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -98.62 153.08 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.71 162.25 11.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.76 -45.8 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 tt -121.12 142.45 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 24.7 m170 52.41 41.34 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -54.98 -53.32 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.15 -150.67 5.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 mtp -131.7 153.11 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.33 129.41 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.7 t -63.66 165.4 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -99.48 -20.19 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -107.83 -49.51 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.9 p -95.99 -4.54 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.9 p30 32.61 54.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.1 ttp -95.29 116.12 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' CG ' HG23 ' A' ' 29' ' ' THR . 16.8 m-80 -68.63 124.78 24.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -153.36 155.37 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.402 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.5 m80 -66.63 162.22 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -65.83 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.424 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.2 pt20 -92.08 -21.18 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 -26.07 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.33 -22.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 17.6 tt -79.02 -21.61 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -98.96 -24.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.5 128.24 89.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.76 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' CYS . 80.0 p -37.39 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.1 mm? -40.27 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' SER . 48.8 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 67' ' ' CYS . 74.0 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.88 149.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 32.1 m-70 -82.74 136.42 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -95.75 42.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.37 120.16 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 129.21 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.23 97.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -134.84 159.79 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.43 ' HG1' ' N ' ' A' ' 25' ' ' TYR . 6.2 t -100.62 148.27 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' N ' ' HG1' ' A' ' 24' ' ' THR . 5.2 m-85 -99.78 150.73 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.11 61.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.42 164.61 37.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.75 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.49 153.86 24.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 8.0 m-85 -116.27 127.27 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 t -45.53 157.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.8 -22.09 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.55 -62.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.16 -47.6 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 51.54 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -140.86 140.28 34.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.0 tp -54.52 145.56 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.57 106.25 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.02 158.83 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.29 146.38 6.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.71 -52.94 13.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -134.33 154.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 m170 55.98 36.55 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.75 -43.29 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.29 -140.94 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mtp -135.36 146.05 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -130.24 129.15 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 4.4 t -73.84 157.7 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -103.77 -0.42 29.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -117.97 -41.46 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.9 p -114.09 5.74 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' CYS . 14.9 m-20 32.64 52.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 ttp -99.35 109.81 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -76.28 128.38 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -151.17 160.62 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -70.56 150.83 45.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -56.24 -30.25 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -91.45 -9.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.68 -18.3 29.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 m -72.2 -24.59 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 62' ' ' ASN . 16.1 tt -70.11 -22.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.448 ' N ' HG22 ' A' ' 61' ' ' ILE . 26.4 m-80 -90.38 -45.75 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.488 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.2 139.64 34.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 124.66 11.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' PRO . 47.1 p -33.19 -59.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.551 ' CD1' ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -36.97 155.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 10.9 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 65' ' ' SER . 59.7 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -50.17 149.29 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -90.94 133.23 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.9 34.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -51.12 117.64 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -117.24 126.29 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 10.0 tp -60.66 110.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -144.41 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.4 p -87.73 159.37 18.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -119.49 126.69 51.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -21.09 60.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -137.61 163.02 51.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 101.38 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 149.61 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -100.63 129.3 46.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 44.5 t -50.96 159.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -104.64 -32.43 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -66.93 -65.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.36 -45.91 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.15 57.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -135.44 134.85 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 1.9 tm? -42.71 126.77 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' HB ' ' A' ' 29' ' ' THR . 8.6 mt -79.41 112.36 16.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 37' ' ' LEU . 26.2 m-85 -94.25 174.22 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.28 152.72 24.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 41' ' ' LEU . 3.9 mm? -87.94 -50.49 6.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.503 HG12 ' CG ' ' A' ' 43' ' ' HIS . 16.5 tt -117.89 153.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.503 ' CG ' HG12 ' A' ' 42' ' ' ILE . 16.2 m170 47.18 44.29 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 42' ' ' ILE . 2.5 mp0 -60.94 -55.85 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.01 -163.07 9.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 mtp -131.91 145.09 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -126.09 139.12 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.9 t -76.32 165.7 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.97 -0.03 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 51' ' ' CYS . 3.4 t -127.57 -37.18 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -114.3 -1.46 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' CYS . 8.2 m-20 32.19 54.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -90.68 125.96 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.33 115.45 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.39 154.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 69.3 m80 -67.64 157.61 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.42 -31.94 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -92.67 -9.06 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.72 -21.68 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.82 -31.06 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.78 -22.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -93.79 -33.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.67 131.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 151.0 69.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 m -85.25 21.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 66' ' ' LEU . 1.8 mm? -87.87 28.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 49.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.17 160.03 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 26.5 m-70 -95.85 142.4 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -108.08 40.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 60' ' ' VAL . 31.9 m-85 -56.05 139.21 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 14.1 ttmt -142.34 133.77 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.434 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 11.0 tp -64.97 114.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CE1' ' HG2' ' A' ' 21' ' ' LYS . 15.4 m170 -142.88 161.63 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -91.29 138.34 31.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.53 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.05 37.29 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -172.17 153.01 2.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.39 3.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -121.18 150.62 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 42.3 m-85 -110.63 122.57 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.2 t -41.3 155.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -101.44 -27.92 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 43.4 t60 -75.61 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.66 -43.19 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.02 63.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.1 m -143.73 134.32 24.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.4 tm? -46.61 125.25 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.63 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 85.6 mt -86.28 111.17 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 37' ' ' LEU . 58.2 m-85 -95.01 172.82 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.94 147.97 8.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -49.9 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.11 139.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.89 46.13 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 10.6 mp0 -61.39 -61.31 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.92 -161.32 8.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.9 mtp -119.36 143.36 47.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -127.48 132.63 49.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.3 t -72.98 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.0 -11.84 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -112.47 -30.95 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' ASP . 8.3 p -120.47 -2.48 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.6 p-10 34.46 53.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.1 ttp -97.48 116.77 30.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.434 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 1.9 m120 -74.14 134.34 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 20.1 m -159.98 162.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.63 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 73.9 m80 -74.38 153.47 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -29.16 66.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -92.04 -8.08 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.62 -37.92 17.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 20' ' ' PHE . 16.0 m -50.77 -24.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 tt -74.2 -29.33 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.403 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 54.5 m-80 -81.85 -38.08 25.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -49.34 137.38 15.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.79 140.91 43.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -40.12 -33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 47.8 mt -59.55 158.48 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 13.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -38.04 142.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -84.84 140.27 31.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -98.88 36.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG13 ' A' ' 60' ' ' VAL . 25.6 m-85 -55.15 122.26 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 120.86 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.437 HD13 ' CE ' ' A' ' 57' ' ' LYS . 9.4 tp -58.32 122.77 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 36.7 t60 -143.06 162.87 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 m -86.14 131.95 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 7.3 m-85 -107.71 150.76 26.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.41 7.09 12.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.2 p -134.25 161.09 65.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 54.3 Cg_endo -69.73 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -100.7 159.44 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -132.26 136.56 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.5 t -56.44 128.05 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -73.96 -19.88 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -81.93 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.76 -58.85 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.74 22.7 3.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.0 m -113.35 148.49 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.68 152.24 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 33.6 mt -100.44 98.97 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -174.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.83 155.05 29.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -95.18 -47.05 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -126.66 136.01 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CG ' HD12 ' A' ' 42' ' ' ILE . 15.7 m170 62.1 52.02 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -64.66 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.32 -174.38 13.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 mtp -105.26 138.59 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -119.33 123.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.55 162.53 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -106.13 -9.38 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -43.03 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.4 p -109.65 2.41 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.9 m-20 33.99 53.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ttp -100.51 122.81 43.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.525 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 1.8 p30 -87.0 129.26 34.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 m -150.74 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 42.9 m80 -76.88 148.03 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CE ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -52.89 -35.28 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -86.8 -7.55 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 m -89.21 -39.21 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.435 HG13 ' CD2' ' A' ' 20' ' ' PHE . 2.8 m -48.31 -34.58 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 tt -74.12 -25.67 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -87.99 -32.35 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 64' ' ' PRO . 95.4 t -58.96 133.54 87.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 127.93 15.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' CYS . 4.5 t -37.88 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -38.63 95.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' SER . 34.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -42.97 163.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 24.4 m-70 -97.58 137.23 36.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.63 37.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 19.4 m-85 -57.34 119.19 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -116.82 119.59 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.72 114.03 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -143.32 159.7 41.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -88.79 155.15 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -120.9 148.91 43.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.58 -1.73 53.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -137.17 155.53 75.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.698 0.761 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 98.04 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.97 158.38 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 37' ' ' LEU . 61.3 m-85 -111.51 124.05 51.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.3 t -45.57 160.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -105.6 -38.0 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -71.11 -68.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 p -85.72 -35.53 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.0 -34.43 5.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 m -40.39 150.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 30' ' ' PHE . 6.4 tp -73.43 151.86 40.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.52 108.35 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -114.34 163.92 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.2 163.59 11.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 41' ' ' LEU . 5.1 tt -93.59 -43.3 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 43' ' ' HIS . 3.0 tp -128.56 140.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' HG13 ' A' ' 42' ' ' ILE . 27.9 m170 57.8 40.03 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -47.87 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.19 -174.6 16.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtp -115.62 145.44 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HD2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.55 127.49 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 t -71.23 166.26 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -108.98 -20.69 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 -36.32 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -113.82 -6.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 47' ' ' LYS . 4.0 t70 41.3 54.4 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.469 ' HE3' ' CG1' ' A' ' 55' ' ' VAL . 22.2 ttp -101.72 132.48 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.62 130.35 35.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 53' ' ' MET . 21.8 m -156.91 142.74 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 73.3 m80 -60.3 161.98 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -61.83 -31.71 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 27.9 pt20 -91.45 -8.12 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.77 -25.56 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.31 -26.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 17.5 tt -66.36 -23.9 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.91 -43.1 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 58.5 t -53.43 138.18 49.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.75 164.89 32.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -81.61 38.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 27.8 mt -124.99 141.26 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.9 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.849 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -39.8 158.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.441 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 30.1 m-70 -81.65 164.66 21.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -124.83 32.02 5.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 27.3 m-85 -52.11 138.8 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -126.0 122.41 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 9.6 tp -60.16 110.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 24' ' ' THR . 66.4 t-80 -143.9 162.95 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.417 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 24.1 p -88.65 156.91 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.54 129.88 53.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.55 -9.61 83.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -129.62 154.91 80.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 97.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.89 158.84 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 37' ' ' LEU . 50.2 m-85 -111.65 137.75 49.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.68 159.49 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -105.72 -36.28 7.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -71.57 -68.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.89 -36.1 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.25 -30.8 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -47.65 148.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 30' ' ' PHE . 5.0 tp -66.75 151.88 46.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.72 109.82 21.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.77 162.83 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.11 149.57 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.28 -51.53 10.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.501 HG12 ' CD2' ' A' ' 43' ' ' HIS . 18.5 tt -131.97 139.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' CD2' HG12 ' A' ' 42' ' ' ILE . 26.1 m170 63.66 45.38 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.56 -74.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.3 -170.78 13.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mtp -124.88 152.86 43.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -133.35 130.2 38.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 6.3 t -70.78 167.14 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.79 -17.68 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.2 t -108.75 -47.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.3 p -102.51 -2.03 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 7.3 p-10 32.12 54.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 ttp -89.72 123.12 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -84.13 109.07 17.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.97 146.61 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.33 137.63 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -47.22 -25.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 pt20 -92.96 -32.68 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.12 -31.04 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.3 m -53.78 -25.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 2.3 tp -63.52 -30.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -96.94 -39.02 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -38.05 130.72 0.97 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.2 p -41.75 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -47.29 133.18 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 20.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -76.04 163.38 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 61.0 m-70 -106.24 132.02 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -98.17 40.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 33.2 m-85 -53.91 138.42 36.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -138.58 131.45 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 8.4 tp -59.24 108.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 47' ' ' LYS . 1.5 p80 -137.51 161.65 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 p -91.02 155.27 18.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -117.28 112.51 20.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.26 -11.58 20.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -137.96 155.62 74.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 99.43 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.01 159.36 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m-85 -110.5 126.6 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 38.5 t -42.9 157.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -106.88 -22.81 12.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -79.78 -60.37 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.62 -40.9 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.68 62.88 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -140.77 131.25 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.597 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tm? -39.42 124.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD21 ' CD2' ' A' ' 56' ' ' HIS . 16.2 mt -80.13 118.1 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -103.36 155.02 18.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.64 153.63 8.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.87 -46.74 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.87 142.14 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 32.0 m170 43.34 54.31 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -61.36 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.45 -153.29 6.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.431 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 mtp -127.43 146.16 50.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 13.9 ttmm -133.26 128.52 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 165.34 9.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -102.23 -11.38 18.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.454 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 6.7 t -112.09 -49.14 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.452 ' N ' HG22 ' A' ' 50' ' ' THR . 19.9 p -100.59 -1.33 35.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 68.5 m-20 34.31 54.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.3 ttp -90.86 119.24 30.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -77.31 118.65 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -144.78 170.47 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.528 ' CD2' HD21 ' A' ' 38' ' ' LEU . 38.3 m80 -81.6 160.75 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 tptp -61.95 -36.23 80.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -88.36 -10.54 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.23 -30.25 27.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 m -58.67 -24.61 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.0 tt -81.05 -20.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -95.09 -25.01 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.97 133.49 92.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.666 0.746 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.89 26.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -82.75 37.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -103.43 86.66 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.501 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 47.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -40.72 158.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 66' ' ' LEU . 18.7 m-70 -95.44 148.86 22.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -102.8 22.02 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -41.42 123.73 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.48 129.8 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 6.8 tp -64.26 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -145.79 144.2 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.467 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 7.4 t -88.42 149.85 23.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 m-85 -100.78 149.03 24.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.38 -4.7 64.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -132.33 157.76 77.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 101.0 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.21 154.03 20.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 37' ' ' LEU . 50.6 m-85 -107.4 120.72 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -41.05 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.86 -27.04 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 47.2 t60 -81.24 -73.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.4 p -72.34 -46.75 54.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.12 31.36 5.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -114.96 137.02 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 30' ' ' PHE . 3.6 tp -50.49 150.06 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -102.33 124.75 48.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -115.77 160.95 19.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.5 160.2 10.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -46.38 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.497 HG13 ' CG ' ' A' ' 43' ' ' HIS . 10.4 tp -128.42 153.57 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.497 ' CG ' HG13 ' A' ' 42' ' ' ILE . 8.7 m80 44.2 49.99 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.19 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.1 -151.04 6.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 22' ' ' ILE . 29.3 mmm -135.51 132.66 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -119.53 122.72 42.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.424 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 12.5 t -64.26 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -107.21 -4.32 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.424 ' CG2' ' SG ' ' A' ' 48' ' ' CYS . 2.5 t -119.03 -37.79 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -116.33 0.3 12.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER 33.08 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.0 ttp -94.86 113.08 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -74.38 125.51 28.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -154.68 138.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -43.31 153.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -29.2 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -92.68 -16.0 26.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.46 -31.16 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 61' ' ' ILE . 10.7 m -53.67 -22.91 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.461 ' N ' HG21 ' A' ' 60' ' ' VAL . 6.8 tt -72.54 -25.74 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 22.9 m-80 -86.46 -39.77 15.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 62.1 t -52.98 137.88 45.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.731 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.73 129.76 18.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' PRO . 64.1 m -33.71 -37.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 24.9 mt -53.61 163.21 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' CYS . 52.0 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -46.23 147.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 24.7 m-70 -78.16 172.08 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -133.9 43.22 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.3 140.47 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 124.46 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 9.6 tp -57.53 107.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -140.78 161.11 38.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -98.31 144.68 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -104.99 161.82 13.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.58 -13.15 24.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.3 p -131.77 160.43 67.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.653 0.74 . . . . 0.0 110.836 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 53.7 Cg_endo -69.73 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.02 156.41 17.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE1' HD12 ' A' ' 37' ' ' LEU . 56.1 m-85 -110.17 134.97 51.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.17 155.31 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.92 -32.05 9.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -66.18 -68.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -84.6 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.63 6.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -111.32 141.1 45.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 30' ' ' PHE . 5.2 tp -52.84 150.23 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.27 93.46 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 164.48 14.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.06 161.49 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -99.82 -45.99 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 HD11 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.76 129.22 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CG ' HD11 ' A' ' 42' ' ' ILE . 42.7 m170 58.92 54.36 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -55.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.58 -160.78 10.13 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 mtp -113.67 153.79 28.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -134.77 132.0 38.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 12.4 t -78.22 165.15 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -107.95 -8.46 15.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.451 ' CG2' ' SG ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -113.66 -42.29 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -109.59 7.58 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 p-10 33.06 42.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 3.4 ttm -77.68 149.59 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' A' ' 53' ' ' MET . 0.6 OUTLIER -118.51 107.03 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.94 170.39 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -80.23 162.38 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -58.82 -35.74 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.453 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.9 pt20 -88.96 -6.4 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.95 -38.17 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.31 -40.81 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.44 -34.59 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -80.08 -44.85 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 87.0 t -42.45 140.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.69 118.36 5.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 64' ' ' PRO . 6.9 t -30.4 -51.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.525 ' CD1' ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -46.76 152.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 29.5 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 58.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' SER . 58.6 mmtt -36.91 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -88.91 160.31 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -114.15 23.48 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 26.0 m-85 -43.09 135.68 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 122.73 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.13 120.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 11.2 m170 -144.23 158.51 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 m -93.17 131.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -113.83 149.01 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.21 15.87 58.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.76 158.53 56.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.58 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.89 138.5 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -104.93 128.5 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.01 159.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -107.21 -31.34 8.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -77.09 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -79.86 -33.97 39.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.69 -28.32 16.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 m -52.99 152.29 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 38' ' ' LEU . 5.3 tp -70.64 153.13 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 56' ' ' HIS . 37.3 mt -94.44 91.22 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -72.15 179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 81.63 77.85 1.01 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.0 mp -30.3 -49.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.6 125.37 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.89 43.92 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 65.7 mt-30 -47.95 -60.65 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.51 -150.86 5.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.412 ' SD ' ' CG1' ' A' ' 60' ' ' VAL . 12.6 mtp -128.6 155.88 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -136.87 130.12 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 7.3 t -71.58 165.29 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -104.9 -17.76 14.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.39 -39.97 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 11.2 p -112.7 -2.42 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 1.3 m-20 33.92 54.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.2 ttp -95.79 116.61 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 13.3 m120 -71.21 130.43 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 34.4 m -159.78 144.36 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CD2' HD22 ' A' ' 38' ' ' LEU . 48.5 m80 -46.97 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -78.01 -33.64 51.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -89.38 -33.13 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 58' ' ' GLN . 18.9 m -57.29 -19.54 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.412 ' CG1' ' SD ' ' A' ' 46' ' ' MET . 18.1 m -62.75 -20.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 62' ' ' ASN . 16.2 tt -80.93 -22.09 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.485 ' N ' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -102.56 -26.32 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.1 t -49.71 131.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 67' ' ' CYS . 39.8 m -39.07 -27.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' PRO . 3.1 mm? -38.64 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' SER . 31.9 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' CYS . 59.3 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -44.47 151.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 26.4 m-70 -81.15 150.29 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -112.99 35.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 24.3 m-85 -52.3 146.85 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -145.43 131.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.6 tp -61.5 100.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -140.27 149.61 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -87.34 147.11 25.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -99.18 151.04 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.5 -13.08 80.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -141.65 163.37 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.1 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 158.99 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 23.4 m-85 -111.88 126.51 55.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 29.6 t -43.56 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -109.06 -20.93 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 16.2 t60 -84.98 -67.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.66 -44.94 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.05 62.09 1.02 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -139.91 144.27 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -57.3 127.84 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' N ' HD11 ' A' ' 37' ' ' LEU . 14.6 mt -78.53 125.15 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.54 168.85 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.32 150.81 13.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -50.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.0 tt -133.59 154.2 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 m170 56.85 36.28 27.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -54.13 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.0 -138.47 4.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 mtp -136.73 144.02 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -127.37 130.22 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.9 t -73.82 165.49 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -105.23 -16.09 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 t -106.47 -43.42 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.6 p -106.73 4.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' CYS . 16.7 m-20 29.53 52.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.455 ' HE1' ' CG1' ' A' ' 55' ' ' VAL . 26.3 ttp -93.83 133.42 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -93.02 113.05 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG1' ' HE1' ' A' ' 53' ' ' MET . 27.6 m -140.81 155.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 64.9 m80 -69.68 156.23 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -29.27 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -7.39 47.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 m -91.96 -17.91 24.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.34 -29.95 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.02 -25.23 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.489 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 26.1 m-80 -86.45 -43.27 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -47.17 138.7 7.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.175 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 130.38 19.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.377 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.0 m -34.81 -66.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.4 pp -42.22 157.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 3.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 5.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.943 0.402 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 6.6 mtmp? -35.18 152.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 43.1 m-70 -83.27 133.88 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -86.73 35.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 17.9 m-85 -53.95 134.49 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.69 135.17 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 8.6 tp -57.24 110.2 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -138.23 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -92.36 132.92 36.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' HD12 ' A' ' 38' ' ' LEU . 91.1 m-85 -88.15 128.91 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.33 -16.12 80.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -144.54 156.58 56.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.636 2.224 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 38' ' ' LEU . 2.2 t -113.52 157.64 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -97.6 121.65 39.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -41.85 156.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -99.91 -35.89 9.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -72.6 -72.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -80.56 -35.36 34.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.85 -29.84 10.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.5 m -49.18 149.56 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 39' ' ' TYR . 5.8 tp -72.79 150.93 42.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 29' ' ' THR . 77.0 mt -95.02 106.8 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.0 m-85 -99.73 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 161.01 11.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.08 -42.68 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.487 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.4 tt -138.86 143.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' CG ' HG12 ' A' ' 42' ' ' ILE . 16.0 m170 52.52 52.05 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -69.12 -57.23 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.16 -145.72 5.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.6 mtp -134.76 154.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 115.91 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.1 t -55.22 168.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.55 -28.83 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 t -94.94 -39.75 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 5.9 p -109.6 -7.93 15.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.484 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.4 p30 38.47 54.97 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.459 ' CE ' HG11 ' A' ' 55' ' ' VAL . 33.3 ttp -91.96 138.75 31.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.47 117.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.459 HG11 ' CE ' ' A' ' 53' ' ' MET . 35.6 m -147.83 151.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 38' ' ' LEU . 76.9 m80 -62.34 152.97 32.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -57.21 -28.15 62.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -90.21 -35.9 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.0 -31.22 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 m -53.88 -29.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 58' ' ' GLN . 7.2 tt -66.37 -31.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -79.34 -43.83 22.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 46.8 t -48.15 136.01 11.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -68.54 70.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 67' ' ' CYS . 0.8 OUTLIER -166.69 153.44 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.481 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' CYS . 54.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.7 mmtp -50.74 154.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 24.1 m-70 -88.67 138.16 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 17' ' ' LYS . 3.5 mptt -105.41 70.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 44.8 m-85 -85.45 138.39 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.62 132.13 38.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 7.0 tp -60.37 114.75 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.13 163.12 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 m -102.98 142.93 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.7 m-85 -108.75 132.07 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.8 -2.96 83.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 p -133.03 156.25 80.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 101.1 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 159.37 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 37' ' ' LEU . 96.1 m-85 -117.98 127.53 53.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 17.2 t -49.02 158.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -107.58 -23.02 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 34.2 t60 -81.37 -63.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.89 -47.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.58 30.61 4.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -115.25 143.2 45.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 30' ' ' PHE . 4.9 tp -52.38 150.74 4.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 56' ' ' HIS . 72.3 mt -100.77 85.04 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.21 172.51 12.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.72 140.63 6.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.86 -54.8 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.406 HG12 ' CG ' ' A' ' 43' ' ' HIS . 17.9 tt -125.4 149.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 20.6 m80 48.48 51.27 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 29.9 mt-30 -61.61 -58.63 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.09 -161.12 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtp -118.76 141.03 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -123.07 133.79 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -69.41 165.43 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.35 -15.87 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -110.03 -48.63 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' ASP . 10.2 p -101.97 8.13 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' CYS . 23.8 m-20 33.12 46.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.405 ' SD ' HG13 ' A' ' 55' ' ' VAL . 5.9 ttm -80.54 124.18 28.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -94.06 100.48 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.405 HG13 ' SD ' ' A' ' 53' ' ' MET . 3.2 m -124.24 160.2 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 70.1 m80 -74.38 158.02 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -55.34 -33.77 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -92.89 -7.57 45.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.25 -21.85 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 61' ' ' ILE . 35.0 m -69.88 -28.76 37.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' HG21 ' A' ' 60' ' ' VAL . 20.5 tt -70.38 -19.5 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.9 m-80 -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 64.5 t -44.88 138.52 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.9 Cg_endo -69.81 130.91 20.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.632 2.222 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.1 p -32.48 -62.86 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.1 pp -45.63 159.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 6.0 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.968 0.413 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -45.47 159.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 19.2 m-70 -89.51 149.37 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -111.61 37.37 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 22.5 m-85 -54.36 108.42 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -106.0 119.57 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 3.1 tp -57.5 118.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -145.85 163.28 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 m -95.14 150.68 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 m-85 -115.23 149.63 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.26 -13.24 56.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -133.15 162.73 55.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -97.48 148.66 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 28.2 m-85 -105.59 136.38 45.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 18.7 t -54.18 158.03 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.18 -25.91 10.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 29.9 t60 -78.07 -63.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 24.5 p -85.46 -46.67 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 97.25 63.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -144.69 141.13 29.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD22 ' CZ ' ' A' ' 30' ' ' PHE . 1.7 tm? -48.52 129.88 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' HB ' ' A' ' 29' ' ' THR . 19.3 mt -81.18 111.96 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.56 162.7 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 44' ' ' GLN . . . 109.33 160.2 19.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.82 -46.55 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 43' ' ' HIS . 1.7 tp -114.45 136.34 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 23.6 m170 52.02 44.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 48.5 mt-30 -54.6 -47.13 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.32 -151.39 5.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 mtp -125.78 154.96 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -138.28 118.91 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 8.3 t -63.5 165.83 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.57 -15.94 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 5.9 t -105.32 -37.15 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.0 p -116.84 -0.71 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER 32.03 53.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.4 ' HE3' ' CG1' ' A' ' 55' ' ' VAL . 26.6 ttp -95.12 107.83 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 29' ' ' THR . 3.9 p30 -68.63 118.08 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.4 ' CG1' ' HE3' ' A' ' 53' ' ' MET . 30.7 m -141.77 157.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 54.7 m80 -69.72 151.76 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -56.46 -28.66 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -93.23 -15.74 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.13 -19.09 40.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.2 m -66.45 -19.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.2 tt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.528 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 38.0 m-80 -90.7 -44.04 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 88.8 t -44.68 138.71 3.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.7 131.23 20.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' PRO . 86.0 p -36.42 -67.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -42.15 159.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 10.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 33.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -113.64 169.01 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.643 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 20.3 m-70 -105.39 133.02 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -97.12 49.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 29.8 m-85 -67.11 116.76 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.93 116.47 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 9.9 tp -57.67 108.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -141.75 162.99 34.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 p -82.64 153.59 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.39 143.26 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.42 35.03 4.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 p -169.78 155.0 5.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 107.93 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -123.51 159.5 28.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CZ ' ' CD2' ' A' ' 37' ' ' LEU . 92.6 m-85 -119.92 133.76 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -43.75 160.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.14 -28.41 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 51.1 t60 -78.63 -68.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.95 -38.19 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 66.64 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -141.95 149.64 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.671 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.46 126.08 20.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.507 ' CD2' ' NE2' ' A' ' 56' ' ' HIS . 95.2 mt -90.68 111.1 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -112.12 178.44 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' GLN . . . 125.51 148.34 7.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -52.0 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.7 tt -130.28 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CG ' HG12 ' A' ' 42' ' ' ILE . 15.1 m170 46.4 48.14 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 67.9 mt-30 -57.7 -46.82 83.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.48 -163.88 11.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 mtp -126.22 131.43 51.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.66 129.86 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 50' ' ' THR . 2.0 t -74.52 166.9 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -111.61 -22.31 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.401 HG22 ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -94.24 -39.52 10.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 53' ' ' MET . 17.4 p -113.93 -11.01 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 57.47 38.57 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.412 ' SD ' HG13 ' A' ' 55' ' ' VAL . 5.4 ttm -81.23 139.58 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.8 108.52 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.412 HG13 ' SD ' ' A' ' 53' ' ' MET . 10.6 m -135.41 150.37 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.507 ' NE2' ' CD2' ' A' ' 38' ' ' LEU . 65.3 m80 -59.56 146.73 39.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.05 -28.13 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -93.44 -31.8 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.403 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 1.3 m -61.36 -34.17 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 m -45.01 -34.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.448 ' CG2' ' ND2' ' A' ' 62' ' ' ASN . 4.7 tt -64.07 -35.15 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.606 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 1.3 m120 -68.59 -46.11 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.511 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.25 139.53 35.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.79 142.25 47.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.38 -51.73 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -52.1 161.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 10.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.941 0.4 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -42.0 151.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -87.63 142.55 27.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.26 31.27 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 21.7 m-85 -53.46 133.89 40.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -127.83 122.61 33.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 10.5 tp -57.35 105.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -137.05 162.91 32.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.47 152.41 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.3 m-85 -111.71 128.53 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.12 -7.05 84.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 p -141.05 158.64 64.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.682 0.753 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.16 156.19 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 37' ' ' LEU . 52.9 m-85 -108.96 130.21 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 49.4 t -51.34 158.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -105.11 -30.25 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -71.43 -67.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -80.92 -41.02 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.23 58.93 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.2 p -141.94 150.22 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 30' ' ' PHE . 2.3 tm? -56.01 128.78 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -78.09 117.13 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' A' ' 37' ' ' LEU . 35.7 m-85 -109.38 134.59 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 152.49 148.09 4.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.48 -48.26 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.435 HG13 ' CG ' ' A' ' 43' ' ' HIS . 3.8 tp -125.66 138.26 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CG ' HG13 ' A' ' 42' ' ' ILE . 21.3 m80 54.82 52.65 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 40.9 mt-30 -63.12 -61.26 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.66 -156.35 7.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.7 mtp -126.77 149.31 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 124.16 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 t -74.48 165.16 25.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.76 -13.23 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.503 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 10.2 t -110.59 -50.51 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 50' ' ' THR . 15.3 p -97.74 -5.01 35.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 9.1 p-10 35.11 54.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.0 ttp -93.51 135.22 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.71 105.1 17.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.09 163.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 62.1 m80 -68.69 151.86 46.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -59.21 -26.52 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -91.54 -32.5 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.01 -33.57 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.1 m -51.29 -24.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.0 tt -71.55 -28.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -90.37 -37.19 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -55.23 135.57 68.75 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.64 0.733 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 148.89 66.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -83.03 18.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 2.0 mm? -84.69 28.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.503 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 50.3 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 17' ' ' LYS . 16.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.942 0.401 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' SER . 13.4 mmmt -33.74 143.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 34.9 m-70 -83.27 134.35 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -87.49 33.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 27.5 m-85 -54.29 121.21 7.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -118.57 122.88 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.441 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 7.6 tp -59.15 110.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 154.8 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -82.62 157.03 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -122.41 152.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.91 -7.83 52.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 59.0 m -134.48 155.89 79.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.1 Cg_endo -69.79 93.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.228 . . . . 0.0 112.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 150.03 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 37' ' ' LEU . 48.6 m-85 -107.73 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -47.73 160.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -103.5 -38.58 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -68.32 -66.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.11 -36.02 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.59 -22.63 38.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 m -47.15 149.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 2.9 tm? -75.41 135.34 40.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 19.6 mt -83.28 111.62 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.6 142.63 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.6 165.3 14.14 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.0 mm? -88.82 -41.98 12.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.8 tt -138.23 150.97 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.7 m170 51.85 44.03 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.29 -51.84 68.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.04 -172.6 17.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.44 ' HE3' ' N ' ' A' ' 22' ' ' ILE . 37.4 mtp -120.13 154.33 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -133.95 121.34 21.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.4 t -63.58 168.7 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -104.05 -22.54 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.4 HG23 ' SG ' ' A' ' 48' ' ' CYS . 1.1 t -102.51 -37.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -114.52 -2.91 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.495 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 5.7 p-10 30.92 54.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.428 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.5 ttp -89.75 136.24 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' HG11 ' A' ' 55' ' ' VAL . 2.5 m-20 -87.63 120.82 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.418 HG11 ' C ' ' A' ' 54' ' ' ASN . 34.5 m -152.3 166.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.599 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 48.8 m80 -74.78 150.49 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.4 -27.04 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -93.42 -25.81 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 m -70.06 -30.14 67.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.2 m -46.88 -38.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.544 ' CG2' ' ND2' ' A' ' 62' ' ' ASN . 15.5 tt -64.64 -30.37 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.544 ' ND2' ' CG2' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.57 -43.48 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.64 129.59 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 128.69 16.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 p -37.78 -26.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -43.91 106.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t 56.31 41.93 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 110.811 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 m -143.69 140.21 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.67 62.38 0.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -123.46 102.11 7.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -172.51 159.12 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 136.51 3.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.24 63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 144.41 54.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.05 142.14 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -167.67 161.26 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.65 178.29 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -110.94 91.68 13.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.94 37.79 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -72.89 -45.45 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p -62.26 -32.35 73.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -43.64 150.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -85.15 138.29 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -97.75 39.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 28.5 m-85 -57.08 134.57 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -129.61 125.58 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 7.8 tp -59.59 116.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.495 ' CD2' ' H ' ' A' ' 24' ' ' THR . 11.2 t-160 -145.08 163.05 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.495 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 80.1 p -95.42 159.11 15.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -121.98 156.33 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.28 -17.84 14.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -122.69 160.77 47.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.713 0.768 . . . . 0.0 110.786 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.25 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.75 156.09 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.652 ' CZ ' ' CD2' ' A' ' 37' ' ' LEU . 90.3 m-85 -116.58 136.66 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 39.0 t -47.6 159.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -101.19 -28.99 12.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -77.85 -71.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 p -79.84 -36.27 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.4 63.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LEU . 70.9 m -140.06 138.26 35.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.652 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -37.33 135.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -102.83 99.35 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -97.35 172.63 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.95 153.12 7.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.89 -50.05 5.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.51 129.69 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.467 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 29.4 m170 65.95 45.61 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.02 -60.88 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.4 -160.42 8.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtp -128.49 148.65 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -134.8 127.38 30.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.6 t -67.51 165.55 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -105.0 -13.77 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.0 t -106.8 -43.73 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' ASP . 21.3 p -108.97 2.8 21.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.1 m-20 33.14 54.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.9 ttp -98.26 116.36 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -79.01 120.6 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -146.82 151.91 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.577 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 48.4 m80 -59.45 156.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 27.7 tttt -62.51 -29.14 70.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -92.71 -10.69 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.0 m -87.75 -24.38 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 57' ' ' LYS . 3.5 m -57.24 -33.93 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 tt -71.09 -28.34 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -83.59 -37.56 22.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.4 t -53.95 135.41 57.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.1 Cg_endo -69.73 119.98 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' PRO . 76.9 p -36.17 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.5 mm? -39.11 101.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 26.3 t -133.03 139.77 47.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 51.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 137.55 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -103.9 43.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -114.66 44.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.0 m -140.51 147.74 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -124.45 -15.29 6.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -84.75 146.3 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -154.09 114.69 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.4 -176.74 29.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.63 153.65 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 78' ' ' ILE . 5.2 mp -108.39 141.17 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -110.35 175.52 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.9 mt -145.13 153.41 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -114.66 167.37 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.09 174.64 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.49 175.24 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 85' ' ' ALA . 10.4 p -154.1 150.71 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' HG23 ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 46.84 41.78 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 t 39.11 43.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.44 139.0 29.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -161.12 174.94 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -145.32 149.42 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.15 -171.11 12.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 79.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.1 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -142.22 132.5 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -104.78 -175.01 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 12' ' ' ASP . 4.6 p30 -104.15 165.23 11.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.39 66.2 4.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.581 0.705 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 0.73 5.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -66.9 -41.88 86.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -92.85 38.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.28 159.68 15.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 32.9 m-70 -99.35 140.94 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -110.15 34.46 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -46.65 109.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -109.79 127.4 54.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.1 tp -59.74 118.77 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -143.15 162.42 35.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 m -95.24 140.55 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.6 m-85 -106.48 113.41 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.1 -11.11 17.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.5 p -136.46 154.78 77.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 98.2 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.9 158.46 15.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CE1' HD22 ' A' ' 37' ' ' LEU . 47.0 m-85 -107.84 130.85 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 48.7 t -47.57 156.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.72 -25.48 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -78.19 -71.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -79.77 -47.33 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.88 58.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LEU . 44.0 m -138.51 126.48 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tm? -35.53 132.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.7 mt -84.71 108.29 17.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.73 154.01 22.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.71 154.68 10.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.89 -45.68 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.9 tt -123.7 142.95 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.8 m170 54.31 44.8 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.99 -54.35 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.56 -153.75 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtp -126.82 142.57 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -129.44 125.69 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 10.0 t -65.66 165.45 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.32 -12.84 15.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.416 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 2.8 t -107.87 -37.58 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' N ' HG21 ' A' ' 50' ' ' THR . 14.1 p -114.57 -5.54 12.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 39.97 54.56 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 55' ' ' VAL . 27.1 ttp -101.25 105.75 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -63.2 129.39 40.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 ' CG1' ' HE3' ' A' ' 53' ' ' MET . 18.6 m -157.25 144.33 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 52.1 m80 -56.96 163.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -66.92 -28.85 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -92.47 -7.97 45.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.15 -31.84 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.0 m -55.14 -37.1 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.445 HG21 ' N ' ' A' ' 62' ' ' ASN . 14.3 tt -67.68 -23.42 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' N ' HG21 ' A' ' 61' ' ' ILE . 14.6 m-80 -84.46 -37.3 21.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.476 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 97.4 t -60.41 138.62 92.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.3 Cg_endo -69.8 137.59 35.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' PRO . 93.4 p -34.05 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 mt -47.84 144.85 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 4.5 t -137.13 156.87 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 71.6 37.33 61.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.22 168.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.77 46.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -95.58 -179.96 4.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -141.26 161.84 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.36 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.51 171.67 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -125.58 168.14 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -166.52 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -119.82 176.91 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mp -111.9 147.46 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.94 148.97 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -173.45 158.11 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -141.66 164.11 31.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.98 166.95 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -174.45 133.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.7 p -174.95 143.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 m -149.42 158.81 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -152.24 144.05 23.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 152.42 79.95 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 p -36.36 136.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -172.18 154.11 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.35 -166.94 39.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -129.25 102.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.2 Cg_endo -69.83 101.84 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.273 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -142.88 146.56 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 m -50.7 -41.9 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -170.5 121.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.36 94.59 47.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.24 26.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.9 mmm-85 -71.49 -49.23 43.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -50.17 -22.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.0 mmtm -34.71 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -78.42 158.19 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.98 33.5 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -51.69 126.59 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.27 131.23 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 6.7 tp -59.75 114.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.97 162.52 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 25' ' ' TYR . 27.7 m -96.3 145.45 25.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -116.26 156.5 26.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.37 -8.1 33.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 m -133.65 159.02 74.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.413 HG23 ' CG ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -94.32 156.64 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 44.5 m-85 -116.73 124.09 48.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -43.26 159.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -105.79 -29.96 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -75.06 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -83.81 -42.25 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.74 61.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -139.63 133.48 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -42.78 135.26 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 HD23 ' NE2' ' A' ' 56' ' ' HIS . 82.0 mt -88.28 120.66 29.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -98.62 153.08 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.71 162.25 11.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.76 -45.8 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 tt -121.12 142.45 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 24.7 m170 52.41 41.34 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -54.98 -53.32 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.15 -150.67 5.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 mtp -131.7 153.11 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.33 129.41 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.7 t -63.66 165.4 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -99.48 -20.19 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.8 t -107.83 -49.51 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.9 p -95.99 -4.54 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.9 p30 32.61 54.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.1 ttp -95.29 116.12 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' CG ' HG23 ' A' ' 29' ' ' THR . 16.8 m-80 -68.63 124.78 24.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -153.36 155.37 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.402 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.5 m80 -66.63 162.22 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -65.83 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.424 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 13.2 pt20 -92.08 -21.18 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 -26.07 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.33 -22.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 17.6 tt -79.02 -21.61 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -98.96 -24.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.5 128.24 89.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.76 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' CYS . 80.0 p -37.39 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.1 mm? -40.27 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' SER . 48.8 t -131.85 162.12 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.0 58.15 5.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.4 mmt -110.91 43.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -62.84 -60.16 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -126.51 94.27 4.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -127.8 135.9 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -154.7 110.78 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.16 -30.39 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -169.74 143.12 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.87 135.29 51.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -156.83 146.76 20.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.41 HD13 ' N ' ' A' ' 78' ' ' ILE . 3.6 mp -130.31 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.14 90.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.82 88.19 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.2 mmtm -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 81' ' ' LYS . . . 33.98 43.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 84' ' ' VAL . 12.3 pt-20 -170.23 176.4 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.0 p -34.22 127.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -174.56 158.81 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -155.21 160.43 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -171.64 42.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -136.68 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 p -159.2 146.6 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 150.36 5.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.16 167.77 25.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . 53.2 Cg_endo -69.76 -45.04 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' PRO . 11.1 t70 35.39 46.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -148.42 158.62 44.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -40.35 161.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.56 111.94 0.93 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.17 17.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -87.92 -39.79 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 67' ' ' CYS . 74.0 p -60.64 -33.68 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.88 149.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 32.1 m-70 -82.74 136.42 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -95.75 42.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.37 120.16 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 129.21 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.23 97.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -134.84 159.79 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.43 ' HG1' ' N ' ' A' ' 25' ' ' TYR . 6.2 t -100.62 148.27 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' N ' ' HG1' ' A' ' 24' ' ' THR . 5.2 m-85 -99.78 150.73 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.11 61.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.42 164.61 37.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.75 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.49 153.86 24.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 8.0 m-85 -116.27 127.27 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 t -45.53 157.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.8 -22.09 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.55 -62.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.16 -47.6 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 51.54 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -140.86 140.28 34.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.0 tp -54.52 145.56 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.5 mt -96.57 106.25 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -90.02 158.83 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.29 146.38 6.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.71 -52.94 13.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -134.33 154.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 m170 55.98 36.55 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.75 -43.29 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -157.29 -140.94 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mtp -135.36 146.05 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -130.24 129.15 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.456 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 4.4 t -73.84 157.7 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -103.77 -0.42 29.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.456 ' CG2' ' SG ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -117.97 -41.46 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.9 p -114.09 5.74 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' CYS . 14.9 m-20 32.64 52.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 ttp -99.35 109.81 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -76.28 128.38 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -151.17 160.62 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -70.56 150.83 45.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -56.24 -30.25 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -91.45 -9.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.68 -18.3 29.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.6 m -72.2 -24.59 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 62' ' ' ASN . 16.1 tt -70.11 -22.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.448 ' N ' HG22 ' A' ' 61' ' ' ILE . 26.4 m-80 -90.38 -45.75 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.488 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.2 139.64 34.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 124.66 11.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' PRO . 47.1 p -33.19 -59.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.551 ' C ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -36.97 155.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.486 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 10.9 t -156.13 161.84 40.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.476 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 84.48 65.68 1.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 mmt -99.73 -33.05 10.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.41 160.71 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 70.1 m80 56.78 51.48 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.0 m -77.8 136.18 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -61.62 110.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -41.1 128.23 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -133.31 162.18 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.89 103.51 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -174.91 150.38 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 79' ' ' TYR . 4.7 mp -128.12 140.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.406 ' N ' HG23 ' A' ' 78' ' ' ILE . 13.1 m-85 -88.02 129.82 35.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -83.68 144.17 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -104.49 128.25 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.59 165.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -138.19 178.17 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.04 150.21 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -157.11 144.37 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -67.6 -59.2 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.47 -111.82 1.02 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -110.91 -49.17 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.812 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 61.07 41.84 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.55 -141.74 8.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.31 -81.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 152.97 69.45 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.37 111.72 16.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -107.52 86.92 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.77 -23.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -134.58 67.97 71.9 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.92 29.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.79 -38.91 86.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 65' ' ' SER . 59.7 p -94.77 -23.0 17.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -50.17 149.29 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -90.94 133.23 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.9 34.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -51.12 117.64 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -117.24 126.29 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 10.0 tp -60.66 110.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -144.41 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.4 p -87.73 159.37 18.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -119.49 126.69 51.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -21.09 60.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -137.61 163.02 51.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 101.38 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 149.61 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -100.63 129.3 46.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 44.5 t -50.96 159.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -104.64 -32.43 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -66.93 -65.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.36 -45.91 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.15 57.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -135.44 134.85 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 1.9 tm? -42.71 126.77 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD1' ' HB ' ' A' ' 29' ' ' THR . 8.6 mt -79.41 112.36 16.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 37' ' ' LEU . 26.2 m-85 -94.25 174.22 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.28 152.72 24.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 41' ' ' LEU . 3.9 mm? -87.94 -50.49 6.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.503 HG12 ' CG ' ' A' ' 43' ' ' HIS . 16.5 tt -117.89 153.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.503 ' CG ' HG12 ' A' ' 42' ' ' ILE . 16.2 m170 47.18 44.29 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 42' ' ' ILE . 2.5 mp0 -60.94 -55.85 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.01 -163.07 9.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 mtp -131.91 145.09 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -126.09 139.12 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.9 t -76.32 165.7 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.97 -0.03 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 51' ' ' CYS . 3.4 t -127.57 -37.18 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -114.3 -1.46 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' CYS . 8.2 m-20 32.19 54.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.7 ttp -90.68 125.96 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.33 115.45 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.39 154.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 69.3 m80 -67.64 157.61 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -60.42 -31.94 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -92.67 -9.06 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.72 -21.68 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.82 -31.06 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.4 tt -67.78 -22.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -93.79 -33.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.67 131.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 151.0 69.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 m -85.25 21.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' N ' HD23 ' A' ' 66' ' ' LEU . 1.8 mm? -87.87 28.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.4 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 49.2 t -41.13 162.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 41.38 3.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CE ' ' O ' ' A' ' 66' ' ' LEU . 4.6 mtt -115.88 39.15 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -83.09 84.84 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -136.49 105.56 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.4 m -125.33 127.15 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -96.47 47.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -101.7 46.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.85 70.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.19 122.52 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.78 141.84 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.3 mp -133.07 135.7 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -139.28 153.86 47.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.08 151.38 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ALA . 20.5 mmmt -120.36 -75.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' LYS . . . -33.88 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -133.13 44.12 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.6 p -117.98 -15.79 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -77.86 -56.3 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -151.02 165.85 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.87 -147.16 12.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -136.19 167.87 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -136.42 148.08 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.03 -160.53 8.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.64 142.25 9.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -167.19 175.3 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.2 p -102.5 103.8 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 38.9 t0 -146.85 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -112.79 64.29 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' C ' ' A' ' 12' ' ' ASP . 53.7 Cg_endo -69.79 -7.47 21.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -36.08 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -87.12 24.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.17 160.03 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 26.5 m-70 -95.85 142.4 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -108.08 40.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' CD2' HG13 ' A' ' 60' ' ' VAL . 31.9 m-85 -56.05 139.21 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 14.1 ttmt -142.34 133.77 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.434 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 11.0 tp -64.97 114.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' CE1' ' HG2' ' A' ' 21' ' ' LYS . 15.4 m170 -142.88 161.63 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -91.29 138.34 31.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.53 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.05 37.29 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -172.17 153.01 2.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.39 3.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.5 t -121.18 150.62 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 42.3 m-85 -110.63 122.57 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.2 t -41.3 155.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -101.44 -27.92 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 43.4 t60 -75.61 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.66 -43.19 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.02 63.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.1 m -143.73 134.32 24.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.4 tm? -46.61 125.25 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.63 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 85.6 mt -86.28 111.17 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 37' ' ' LEU . 58.2 m-85 -95.01 172.82 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.94 147.97 8.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -49.9 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.11 139.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.89 46.13 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 10.6 mp0 -61.39 -61.31 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.92 -161.32 8.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.9 mtp -119.36 143.36 47.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -127.48 132.63 49.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.3 t -72.98 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.0 -11.84 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -112.47 -30.95 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' ASP . 8.3 p -120.47 -2.48 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.6 p-10 34.46 53.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.1 ttp -97.48 116.77 30.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.434 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 1.9 m120 -74.14 134.34 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 20.1 m -159.98 162.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.63 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 73.9 m80 -74.38 153.47 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -29.16 66.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -92.04 -8.08 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.62 -37.92 17.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.43 HG13 ' CD2' ' A' ' 20' ' ' PHE . 16.0 m -50.77 -24.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.0 tt -74.2 -29.33 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.403 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 54.5 m-80 -81.85 -38.08 25.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -49.34 137.38 15.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.79 140.91 43.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -40.12 -33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 47.8 mt -59.55 158.48 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 13.3 t -155.98 162.03 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.472 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 62.87 52.38 48.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -91.8 29.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -98.58 -53.04 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -73.92 93.58 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.33 139.86 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -170.88 158.26 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 51.33 53.88 12.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -57.11 -55.65 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 151.88 5.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -150.36 142.43 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.95 139.24 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -83.13 178.22 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.59 136.13 51.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -123.78 164.97 18.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.78 172.42 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.04 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -116.46 157.3 25.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.4 t -140.79 135.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -112.05 42.57 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -151.74 162.08 41.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 169.12 38.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -144.26 168.9 18.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -126.1 176.45 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.69 126.63 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.37 70.1 0.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.04 22.54 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -101.0 136.74 40.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -98.94 -36.75 9.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.56 108.8 21.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -86.42 133.01 41.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -16.93 37.99 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -64.44 -39.37 93.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 p -73.57 -43.65 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -38.04 142.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -84.84 140.27 31.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -98.88 36.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG13 ' A' ' 60' ' ' VAL . 25.6 m-85 -55.15 122.26 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 120.86 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.437 HD13 ' CE ' ' A' ' 57' ' ' LYS . 9.4 tp -58.32 122.77 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 36.7 t60 -143.06 162.87 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 m -86.14 131.95 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 7.3 m-85 -107.71 150.76 26.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.41 7.09 12.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.2 p -134.25 161.09 65.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 54.3 Cg_endo -69.73 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -100.7 159.44 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -132.26 136.56 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.5 t -56.44 128.05 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -73.96 -19.88 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -81.93 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.76 -58.85 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.74 22.7 3.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.0 m -113.35 148.49 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.68 152.24 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 33.6 mt -100.44 98.97 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -174.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.83 155.05 29.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -95.18 -47.05 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.52 HD12 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -126.66 136.01 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.52 ' CG ' HD12 ' A' ' 42' ' ' ILE . 15.7 m170 62.1 52.02 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -64.66 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.32 -174.38 13.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.1 mtp -105.26 138.59 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -119.33 123.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.55 162.53 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -106.13 -9.38 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -111.32 -43.03 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.4 p -109.65 2.41 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.9 m-20 33.99 53.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ttp -100.51 122.81 43.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.525 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 1.8 p30 -87.0 129.26 34.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 m -150.74 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 42.9 m80 -76.88 148.03 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' CE ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -52.89 -35.28 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -86.8 -7.55 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 m -89.21 -39.21 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.435 HG13 ' CD2' ' A' ' 20' ' ' PHE . 2.8 m -48.31 -34.58 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 tt -74.12 -25.67 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -87.99 -32.35 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 64' ' ' PRO . 95.4 t -58.96 133.54 87.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 127.93 15.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' CYS . 4.5 t -37.88 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -38.63 95.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' SER . 34.0 t -135.56 151.66 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.9 63.18 1.77 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.8 ptp -161.91 170.03 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.4 156.6 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.63 153.24 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 m -121.91 148.63 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.19 116.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.78 -41.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -53.76 115.65 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.36 68.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -153.61 154.16 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.29 131.86 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -125.09 121.5 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.7 tp -141.85 110.43 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HE3' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -104.53 14.86 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' N ' ' HE3' ' A' ' 81' ' ' LYS . . . -95.51 138.24 33.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -168.58 114.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.4 p -174.91 150.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -163.01 128.46 3.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -125.58 166.27 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.76 66.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -73.69 83.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -105.27 -60.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.95 -177.45 50.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.16 97.37 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 91.09 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.81 138.44 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 p -117.47 128.57 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -122.04 40.69 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.508 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 3.2 m-20 56.66 50.09 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.76 -15.86 37.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -69.51 -40.66 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -84.15 -29.17 26.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -42.97 163.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 24.4 m-70 -97.58 137.23 36.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.63 37.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 19.4 m-85 -57.34 119.19 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -116.82 119.59 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 tp -60.72 114.03 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -143.32 159.7 41.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -88.79 155.15 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -120.9 148.91 43.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.58 -1.73 53.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 m -137.17 155.53 75.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.698 0.761 . . . . 0.0 110.856 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 98.04 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.97 158.38 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 37' ' ' LEU . 61.3 m-85 -111.51 124.05 51.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.3 t -45.57 160.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -105.6 -38.0 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -71.11 -68.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 p -85.72 -35.53 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.0 -34.43 5.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 m -40.39 150.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 30' ' ' PHE . 6.4 tp -73.43 151.86 40.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.52 108.35 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -114.34 163.92 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.2 163.59 11.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 41' ' ' LEU . 5.1 tt -93.59 -43.3 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.423 HG13 ' N ' ' A' ' 43' ' ' HIS . 3.0 tp -128.56 140.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' N ' HG13 ' A' ' 42' ' ' ILE . 27.9 m170 57.8 40.03 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -47.87 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.19 -174.6 16.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtp -115.62 145.44 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HD2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.55 127.49 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 t -71.23 166.26 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -108.98 -20.69 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 -36.32 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 p -113.82 -6.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 47' ' ' LYS . 4.0 t70 41.3 54.4 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.469 ' HE3' ' CG1' ' A' ' 55' ' ' VAL . 22.2 ttp -101.72 132.48 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.62 130.35 35.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 53' ' ' MET . 21.8 m -156.91 142.74 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.417 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 73.3 m80 -60.3 161.98 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -61.83 -31.71 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 27.9 pt20 -91.45 -8.12 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.77 -25.56 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 m -68.31 -26.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 17.5 tt -66.36 -23.9 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.91 -43.1 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 58.5 t -53.43 138.18 49.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.75 164.89 32.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -81.61 38.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 27.8 mt -124.99 141.26 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.9 t -152.72 158.89 42.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.39 65.36 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.4 mmt -112.23 123.28 49.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.737 0.303 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -121.7 84.7 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -117.35 -53.78 2.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 m -48.47 126.7 11.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.12 53.71 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -85.71 46.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -121.63 136.86 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 77' ' ' ARG . . . 110.03 -111.88 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.516 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 76' ' ' GLY . 21.7 tpp180 -34.9 143.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.55 142.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -114.69 133.92 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp -97.93 147.73 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.5 170.01 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.73 176.69 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.79 159.98 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.83 130.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -155.92 130.17 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -104.49 -46.16 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.94 -161.23 6.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 t 65.6 43.18 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -96.94 112.24 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.792 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.03 160.13 22.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.26 114.2 1.09 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.51 100.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.5 p -137.28 116.46 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -115.76 150.16 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 7.3 m-20 51.42 52.18 11.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.77 -17.97 37.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -67.33 -41.02 85.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m -76.32 -36.91 58.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -39.8 158.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.441 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 30.1 m-70 -81.65 164.66 21.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -124.83 32.02 5.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 27.3 m-85 -52.11 138.8 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -126.0 122.41 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 9.6 tp -60.16 110.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 24' ' ' THR . 66.4 t-80 -143.9 162.95 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.417 ' N ' ' ND1' ' A' ' 23' ' ' HIS . 24.1 p -88.65 156.91 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.54 129.88 53.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.55 -9.61 83.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -129.62 154.91 80.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 97.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.89 158.84 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 37' ' ' LEU . 50.2 m-85 -111.65 137.75 49.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.68 159.49 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -105.72 -36.28 7.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -71.57 -68.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.89 -36.1 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.25 -30.8 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -47.65 148.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 30' ' ' PHE . 5.0 tp -66.75 151.88 46.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.72 109.82 21.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.77 162.83 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.11 149.57 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.28 -51.53 10.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.501 HG12 ' CD2' ' A' ' 43' ' ' HIS . 18.5 tt -131.97 139.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' CD2' HG12 ' A' ' 42' ' ' ILE . 26.1 m170 63.66 45.38 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.56 -74.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.3 -170.78 13.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 mtp -124.88 152.86 43.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -133.35 130.2 38.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 6.3 t -70.78 167.14 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.79 -17.68 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.422 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.2 t -108.75 -47.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.3 p -102.51 -2.03 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 7.3 p-10 32.12 54.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 10.9 ttp -89.72 123.12 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -84.13 109.07 17.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.97 146.61 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -55.33 137.63 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -47.22 -25.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 9.2 pt20 -92.96 -32.68 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.12 -31.04 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.3 m -53.78 -25.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 2.3 tp -63.52 -30.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -96.94 -39.02 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -38.05 130.72 0.97 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.2 p -41.75 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -47.29 133.18 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 20.1 t -159.39 152.63 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.13 42.88 4.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.8 ptp -149.69 115.17 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.34 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -117.85 178.74 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 m -72.97 136.77 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -77.12 131.61 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 45.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -103.37 -39.62 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.6 -174.26 15.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.95 142.79 27.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.3 mm -136.19 142.73 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -90.72 -174.59 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -84.38 32.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.83 90.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.94 174.64 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' ' CG1' ' A' ' 84' ' ' VAL . 17.1 mt-10 -164.55 173.34 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 84' ' ' VAL . 14.9 p 41.61 35.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.057 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -107.29 -48.14 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.885 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m 65.89 42.36 3.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.12 96.62 1.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -132.03 129.16 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -58.78 171.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.26 -155.74 6.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.2 66.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 173.44 10.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -98.36 139.44 34.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -121.4 111.36 17.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -108.4 -65.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -119.23 116.17 33.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -10.25 28.13 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.379 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -81.26 -34.48 32.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -93.01 29.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -76.04 163.38 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 61.0 m-70 -106.24 132.02 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -98.17 40.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.401 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 33.2 m-85 -53.91 138.42 36.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -138.58 131.45 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 8.4 tp -59.24 108.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.477 ' CD2' ' HB3' ' A' ' 47' ' ' LYS . 1.5 p80 -137.51 161.65 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 p -91.02 155.27 18.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -117.28 112.51 20.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.26 -11.58 20.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -137.96 155.62 74.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 99.43 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.01 159.36 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m-85 -110.5 126.6 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 38.5 t -42.9 157.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -106.88 -22.81 12.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -79.78 -60.37 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.62 -40.9 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.68 62.88 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -140.77 131.25 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.597 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tm? -39.42 124.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD21 ' CD2' ' A' ' 56' ' ' HIS . 16.2 mt -80.13 118.1 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -103.36 155.02 18.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.64 153.63 8.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.87 -46.74 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.87 142.14 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.471 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 32.0 m170 43.34 54.31 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -61.36 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -135.45 -153.29 6.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.431 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 mtp -127.43 146.16 50.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 13.9 ttmm -133.26 128.52 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 165.34 9.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -102.23 -11.38 18.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.454 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 6.7 t -112.09 -49.14 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.452 ' N ' HG22 ' A' ' 50' ' ' THR . 19.9 p -100.59 -1.33 35.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 68.5 m-20 34.31 54.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.3 ttp -90.86 119.24 30.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -77.31 118.65 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -144.78 170.47 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.528 ' CD2' HD21 ' A' ' 38' ' ' LEU . 38.3 m80 -81.6 160.75 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' HE2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 tptp -61.95 -36.23 80.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -88.36 -10.54 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.23 -30.25 27.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 m -58.67 -24.61 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.0 tt -81.05 -20.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -95.09 -25.01 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -60.97 133.49 92.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.666 0.746 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.89 26.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -82.75 37.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -103.43 86.66 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.501 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 47.8 t -124.15 147.52 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.9 54.57 2.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.9 mmt -99.98 174.93 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -67.45 170.0 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -75.98 145.7 40.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.9 m -124.1 139.44 53.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 58.84 42.32 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -74.97 132.74 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -68.16 96.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.14 -63.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 15.2 tpt180 -92.37 148.1 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 33.5 mt -135.95 144.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -121.13 99.77 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.34 107.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -141.76 116.8 9.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' C ' ' CD ' ' A' ' 83' ' ' GLU . . . -137.81 158.51 44.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' CD ' ' C ' ' A' ' 82' ' ' ALA . 23.1 mp0 -154.79 124.84 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.65 113.5 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 t -168.53 157.05 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -169.92 176.67 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.01 156.01 25.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 p -170.5 128.45 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -155.94 143.07 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.72 61.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.54 63.37 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 150.13 68.24 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -169.48 143.28 2.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.4 p -143.63 149.26 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -39.67 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -109.53 86.24 4.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 2.19 3.7 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.88 -32.91 46.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -76.21 -39.39 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -40.72 158.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 66' ' ' LEU . 18.7 m-70 -95.44 148.86 22.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -102.8 22.02 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -41.42 123.73 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.48 129.8 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 6.8 tp -64.26 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -145.79 144.2 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.467 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 7.4 t -88.42 149.85 23.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 m-85 -100.78 149.03 24.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.38 -4.7 64.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -132.33 157.76 77.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 101.0 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.21 154.03 20.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CE1' HD13 ' A' ' 37' ' ' LEU . 50.6 m-85 -107.4 120.72 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -41.05 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.86 -27.04 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 47.2 t60 -81.24 -73.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.4 p -72.34 -46.75 54.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.12 31.36 5.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -114.96 137.02 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD13 ' CE1' ' A' ' 30' ' ' PHE . 3.6 tp -50.49 150.06 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 mt -102.33 124.75 48.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -115.77 160.95 19.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.5 160.2 10.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -46.38 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.497 HG13 ' CG ' ' A' ' 43' ' ' HIS . 10.4 tp -128.42 153.57 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.497 ' CG ' HG13 ' A' ' 42' ' ' ILE . 8.7 m80 44.2 49.99 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.19 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.1 -151.04 6.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.407 ' SD ' ' HA ' ' A' ' 22' ' ' ILE . 29.3 mmm -135.51 132.66 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -119.53 122.72 42.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.424 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 12.5 t -64.26 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -107.21 -4.32 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.424 ' CG2' ' SG ' ' A' ' 48' ' ' CYS . 2.5 t -119.03 -37.79 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -116.33 0.3 12.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER 33.08 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.0 ttp -94.86 113.08 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -74.38 125.51 28.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -154.68 138.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -43.31 153.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -29.2 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -92.68 -16.0 26.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.46 -31.16 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 61' ' ' ILE . 10.7 m -53.67 -22.91 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.461 ' N ' HG21 ' A' ' 60' ' ' VAL . 6.8 tt -72.54 -25.74 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.567 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 22.9 m-80 -86.46 -39.77 15.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 62.1 t -52.98 137.88 45.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.731 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.73 129.76 18.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' PRO . 64.1 m -33.71 -37.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 24.9 mt -53.61 163.21 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 12.8 t -154.86 159.6 40.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 63.64 38.76 96.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.8 tpp -55.28 -30.03 59.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.3 168.73 11.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -81.48 145.97 30.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -121.77 140.36 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -91.07 -59.88 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -46.98 -40.16 13.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 74' ' ' LYS . 59.9 ttt180 32.54 45.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.07 -168.05 39.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 19.4 tpt85 -171.85 144.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mm -110.36 135.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -115.43 176.63 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -141.35 136.53 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -114.98 127.99 56.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.12 148.0 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -120.55 124.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.0 140.33 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -160.44 177.32 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -131.26 176.63 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 150.43 9.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -111.96 174.74 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -118.5 -58.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -158.41 31.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' HA3' ' HD2' ' A' ' 9' ' ' PRO . . . -159.78 -139.89 2.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' HA3' ' A' ' 8' ' ' GLY . 53.8 Cg_endo -69.74 137.1 34.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -122.78 -45.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 t -111.57 127.66 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.94 171.35 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -165.05 123.92 1.19 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -16.84 38.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.2 mmt-85 -71.99 -48.98 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 67' ' ' CYS . 52.0 p -84.99 -20.41 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -46.23 147.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.477 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 24.7 m-70 -78.16 172.08 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -133.9 43.22 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.3 140.47 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 124.46 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 9.6 tp -57.53 107.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -140.78 161.11 38.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -98.31 144.68 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -104.99 161.82 13.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.58 -13.15 24.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.3 p -131.77 160.43 67.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.653 0.74 . . . . 0.0 110.836 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 53.7 Cg_endo -69.73 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.02 156.41 17.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.541 ' CE1' HD12 ' A' ' 37' ' ' LEU . 56.1 m-85 -110.17 134.97 51.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.17 155.31 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.92 -32.05 9.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -66.18 -68.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -84.6 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.63 6.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -111.32 141.1 45.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD12 ' CE1' ' A' ' 30' ' ' PHE . 5.2 tp -52.84 150.23 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 44.2 mt -98.27 93.46 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 164.48 14.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.06 161.49 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 1.2 mm? -99.82 -45.99 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 HD11 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.76 129.22 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CG ' HD11 ' A' ' 42' ' ' ILE . 42.7 m170 58.92 54.36 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -55.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.58 -160.78 10.13 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 mtp -113.67 153.79 28.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -134.77 132.0 38.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 12.4 t -78.22 165.15 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -107.95 -8.46 15.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.451 ' CG2' ' SG ' ' A' ' 48' ' ' CYS . 0.9 OUTLIER -113.66 -42.29 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -109.59 7.58 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 p-10 33.06 42.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.454 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 3.4 ttm -77.68 149.59 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' N ' ' HG2' ' A' ' 53' ' ' MET . 0.6 OUTLIER -118.51 107.03 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.4 m -134.94 170.39 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -80.23 162.38 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.1 tttm -58.82 -35.74 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.453 ' O ' ' CG2' ' A' ' 61' ' ' ILE . 5.9 pt20 -88.96 -6.4 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.95 -38.17 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.31 -40.81 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.44 -34.59 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -80.08 -44.85 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.504 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 87.0 t -42.45 140.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.504 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.69 118.36 5.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 64' ' ' PRO . 6.9 t -30.4 -51.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.525 ' C ' ' CD1' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -46.76 152.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 29.5 t -163.78 149.32 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' SD ' ' A' ' 69' ' ' MET . . . 123.23 62.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -175.09 136.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -173.72 129.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -42.34 -64.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.5 m -97.63 141.58 30.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -111.92 -26.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -155.88 161.1 40.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -111.77 135.45 52.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.16 179.29 39.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -99.44 120.47 39.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.3 134.67 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' LEU . 81.3 m-85 -104.14 44.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 79' ' ' TYR . 21.3 tp 37.33 43.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.65 100.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.26 170.0 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -141.2 178.29 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 85' ' ' ALA . 9.3 p 37.4 35.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -133.76 167.53 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -64.62 -49.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.28 -139.5 6.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -127.42 -44.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t 38.78 41.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.823 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 101.11 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.85 151.61 17.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.46 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.26 59.88 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.301 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -52.47 141.43 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.427 ' CG2' ' O ' ' A' ' 11' ' ' THR . 10.3 t -88.76 85.1 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -101.93 -15.45 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 6.1 m-20 61.11 54.02 3.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 54.0 Cg_endo -69.83 0.84 5.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -68.34 -40.74 81.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 58.8 m -97.28 -35.16 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' SER . 58.6 mmtt -36.91 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -88.91 160.31 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -114.15 23.48 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 26.0 m-85 -43.09 135.68 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 122.73 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -59.13 120.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 11.2 m170 -144.23 158.51 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 m -93.17 131.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -113.83 149.01 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.21 15.87 58.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.76 158.53 56.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.58 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.89 138.5 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -104.93 128.5 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.01 159.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -107.21 -31.34 8.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -77.09 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -79.86 -33.97 39.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.69 -28.32 16.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 m -52.99 152.29 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 38' ' ' LEU . 5.3 tp -70.64 153.13 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 56' ' ' HIS . 37.3 mt -94.44 91.22 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -72.15 179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 81.63 77.85 1.01 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.0 mp -30.3 -49.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.6 125.37 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.89 43.92 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 65.7 mt-30 -47.95 -60.65 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.51 -150.86 5.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.412 ' SD ' ' CG1' ' A' ' 60' ' ' VAL . 12.6 mtp -128.6 155.88 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -136.87 130.12 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.476 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 7.3 t -71.58 165.29 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -104.9 -17.76 14.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.39 -39.97 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 11.2 p -112.7 -2.42 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 1.3 m-20 33.92 54.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.2 ttp -95.79 116.61 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 13.3 m120 -71.21 130.43 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 34.4 m -159.78 144.36 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.57 ' CD2' HD22 ' A' ' 38' ' ' LEU . 48.5 m80 -46.97 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -78.01 -33.64 51.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' HG2' ' N ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -89.38 -33.13 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 58' ' ' GLN . 18.9 m -57.29 -19.54 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.412 ' CG1' ' SD ' ' A' ' 46' ' ' MET . 18.1 m -62.75 -20.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 62' ' ' ASN . 16.2 tt -80.93 -22.09 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.485 ' N ' HG23 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -102.56 -26.32 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.1 t -49.71 131.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 67' ' ' CYS . 39.8 m -39.07 -27.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' PRO . 3.1 mm? -38.64 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 65' ' ' SER . 31.9 t -131.76 164.91 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.7 53.82 29.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mmt -104.92 139.12 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -120.04 172.64 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -71.52 173.82 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.8 m -89.58 146.15 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 43.89 50.01 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -91.61 92.92 8.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 62.84 39.95 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.13 -163.48 31.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -172.15 147.3 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.413 ' CG2' ' O ' ' A' ' 78' ' ' ILE . 35.2 mm -135.04 34.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.538 ' CE2' ' HG3' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -79.68 13.55 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.14 158.59 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -49.83 174.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.78 96.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -147.45 135.43 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 85' ' ' ALA . 30.1 m -73.49 122.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -158.5 147.71 19.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t 41.16 47.45 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.6 -163.3 14.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -149.84 121.82 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -49.61 179.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.94 91.99 0.16 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.57 124.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 178.2 4.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.29 159.79 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -124.68 -45.48 1.91 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -88.09 158.89 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.64 108.37 37.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -1.79 9.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -74.34 -43.79 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' CYS . 59.3 p -93.42 -27.68 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -44.47 151.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 26.4 m-70 -81.15 150.29 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -112.99 35.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 24.3 m-85 -52.3 146.85 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -145.43 131.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.6 tp -61.5 100.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -140.27 149.61 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -87.34 147.11 25.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -99.18 151.04 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.5 -13.08 80.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -141.65 163.37 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.1 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.0 158.99 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 23.4 m-85 -111.88 126.51 55.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 29.6 t -43.56 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -109.06 -20.93 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 16.2 t60 -84.98 -67.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.66 -44.94 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.05 62.09 1.02 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -139.91 144.27 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -57.3 127.84 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' N ' HD11 ' A' ' 37' ' ' LEU . 14.6 mt -78.53 125.15 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.54 168.85 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.32 150.81 13.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -50.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.0 tt -133.59 154.2 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 47.1 m170 56.85 36.28 27.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -54.13 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.0 -138.47 4.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 mtp -136.73 144.02 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -127.37 130.22 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.9 t -73.82 165.49 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -105.23 -16.09 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 t -106.47 -43.42 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.6 p -106.73 4.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' CYS . 16.7 m-20 29.53 52.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.455 ' HE1' ' CG1' ' A' ' 55' ' ' VAL . 26.3 ttp -93.83 133.42 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 0.3 OUTLIER -93.02 113.05 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' CG1' ' HE1' ' A' ' 53' ' ' MET . 27.6 m -140.81 155.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.402 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 64.9 m80 -69.68 156.23 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -29.27 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -7.39 47.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 m -91.96 -17.91 24.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.34 -29.95 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.02 -25.23 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.489 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 26.1 m-80 -86.45 -43.27 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.47 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -47.17 138.7 7.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.175 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 130.38 19.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.377 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.0 m -34.81 -66.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.4 pp -42.22 157.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 3.9 t -159.42 161.96 35.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 92.7 66.49 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.4 ' CE ' HD12 ' A' ' 66' ' ' LEU . 6.1 ptp -134.77 -38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 62.31 48.52 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.9 m80 55.8 46.81 21.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.1 t -42.79 144.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -145.74 161.1 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -42.91 118.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -156.58 121.06 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.86 -177.55 48.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -83.62 154.36 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.56 133.66 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.03 122.3 4.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.35 90.2 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -137.4 166.12 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 68.37 41.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.0 164.26 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -137.47 107.96 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -107.04 -51.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.2 13.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -165.49 147.83 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -164.91 175.55 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.6 147.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.12 105.23 0.2 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -177.77 2.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.79 140.07 49.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m -160.39 126.31 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.44 152.3 19.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 6.7 m-20 51.31 52.5 12.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 54.2 Cg_endo -69.75 -0.59 7.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.455 ' HD2' ' CE2' ' A' ' 79' ' ' TYR . 31.5 mtm180 -77.86 -30.63 51.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.477 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 5.2 m -74.81 -31.38 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 6.6 mtmp? -35.18 152.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 43.1 m-70 -83.27 133.88 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -86.73 35.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 17.9 m-85 -53.95 134.49 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.69 135.17 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 8.6 tp -57.24 110.2 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -138.23 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -92.36 132.92 36.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CE2' HD12 ' A' ' 38' ' ' LEU . 91.1 m-85 -88.15 128.91 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.33 -16.12 80.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -144.54 156.58 56.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.636 2.224 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.527 ' CG2' HD13 ' A' ' 38' ' ' LEU . 2.2 t -113.52 157.64 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -97.6 121.65 39.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -41.85 156.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -99.91 -35.89 9.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -72.6 -72.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -80.56 -35.36 34.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.85 -29.84 10.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.5 m -49.18 149.56 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD21 ' CE2' ' A' ' 39' ' ' TYR . 5.8 tp -72.79 150.93 42.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD13 ' CG2' ' A' ' 29' ' ' THR . 77.0 mt -95.02 106.8 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.568 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.0 m-85 -99.73 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 161.01 11.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.08 -42.68 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.487 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.4 tt -138.86 143.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' CG ' HG12 ' A' ' 42' ' ' ILE . 16.0 m170 52.52 52.05 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -69.12 -57.23 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.16 -145.72 5.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.6 mtp -134.76 154.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 115.91 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.484 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.1 t -55.22 168.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.55 -28.83 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 t -94.94 -39.75 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 5.9 p -109.6 -7.93 15.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.484 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.4 p30 38.47 54.97 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.459 ' CE ' HG11 ' A' ' 55' ' ' VAL . 33.3 ttp -91.96 138.75 31.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.47 117.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.459 HG11 ' CE ' ' A' ' 53' ' ' MET . 35.6 m -147.83 151.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 38' ' ' LEU . 76.9 m80 -62.34 152.97 32.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -57.21 -28.15 62.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -90.21 -35.9 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.0 -31.22 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 m -53.88 -29.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 58' ' ' GLN . 7.2 tt -66.37 -31.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -79.34 -43.83 22.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.418 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 46.8 t -48.15 136.01 11.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -68.54 70.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD12 ' N ' ' A' ' 67' ' ' CYS . 0.8 OUTLIER -166.69 153.44 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.481 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.8 t -157.88 175.7 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.88 58.78 2.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.43 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 20.1 mmt -87.33 42.82 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.1 t0 66.13 43.59 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -109.84 -55.93 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 t -43.29 142.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -92.46 150.05 21.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ARG . 6.4 tmtt? 63.85 48.24 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 49.5 mtm-85 -34.79 139.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.85 113.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -123.84 167.41 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.38 134.74 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.455 ' CE2' ' HD2' ' A' ' 15' ' ' ARG . 30.4 m-85 -152.14 144.47 24.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.1 tp -159.01 126.11 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -148.08 145.05 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.99 145.48 46.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -138.8 140.02 38.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.81 148.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 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 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' SER . 13.3 m -84.69 -60.5 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' SER . 86.4 p 34.87 42.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.98 148.11 17.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -121.8 150.9 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -79.28 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.69 -155.94 22.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -140.45 108.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 134.83 28.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -52.5 151.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -86.19 39.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.85 157.3 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t70 -104.14 97.19 10.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 53.5 Cg_endo -69.78 -1.05 7.82 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -90.69 -33.8 15.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' CYS . 54.2 p -72.45 -17.69 61.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 15.7 mmtp -50.74 154.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.585 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 24.1 m-70 -88.67 138.16 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 17' ' ' LYS . 3.5 mptt -105.41 70.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 44.8 m-85 -85.45 138.39 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.62 132.13 38.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 7.0 tp -60.37 114.75 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.13 163.12 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 m -102.98 142.93 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.7 m-85 -108.75 132.07 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.8 -2.96 83.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 p -133.03 156.25 80.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 101.1 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.47 159.37 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 37' ' ' LEU . 96.1 m-85 -117.98 127.53 53.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 17.2 t -49.02 158.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -107.58 -23.02 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 34.2 t60 -81.37 -63.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.89 -47.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.58 30.61 4.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -115.25 143.2 45.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.571 HD13 ' CE2' ' A' ' 30' ' ' PHE . 4.9 tp -52.38 150.74 4.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD23 ' CD2' ' A' ' 56' ' ' HIS . 72.3 mt -100.77 85.04 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.21 172.51 12.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.72 140.63 6.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.86 -54.8 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.406 HG12 ' CG ' ' A' ' 43' ' ' HIS . 17.9 tt -125.4 149.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 20.6 m80 48.48 51.27 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 29.9 mt-30 -61.61 -58.63 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.09 -161.12 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtp -118.76 141.03 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -123.07 133.79 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -69.41 165.43 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.35 -15.87 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.2 t -110.03 -48.63 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 52' ' ' ASP . 10.2 p -101.97 8.13 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' CYS . 23.8 m-20 33.12 46.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.405 ' SD ' HG13 ' A' ' 55' ' ' VAL . 5.9 ttm -80.54 124.18 28.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -94.06 100.48 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.405 HG13 ' SD ' ' A' ' 53' ' ' MET . 3.2 m -124.24 160.2 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 70.1 m80 -74.38 158.02 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -55.34 -33.77 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -92.89 -7.57 45.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.25 -21.85 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG21 ' N ' ' A' ' 61' ' ' ILE . 35.0 m -69.88 -28.76 37.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 ' N ' HG21 ' A' ' 60' ' ' VAL . 20.5 tt -70.38 -19.5 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.9 m-80 -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 64.5 t -44.88 138.52 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.9 Cg_endo -69.81 130.91 20.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.632 2.222 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.1 p -32.48 -62.86 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.431 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.1 pp -45.63 159.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 6.0 t -156.47 148.86 23.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.84 44.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.4 ' HE2' ' CA ' ' A' ' 67' ' ' CYS . 2.2 mpp? -118.72 128.22 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.65 146.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -153.01 121.82 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 t -99.82 140.21 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -123.08 134.08 54.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -99.58 97.75 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.07 144.07 12.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.64 -173.55 16.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -139.96 147.74 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.1 mt -134.78 137.72 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.68 150.01 7.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.04 119.45 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.99 106.7 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -115.35 -5.65 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 85' ' ' ALA . 13.9 p -166.64 144.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.463 ' N ' HG22 ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.83 45.82 7.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -53.76 -48.38 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.06 -107.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' GLY . 32.4 m 56.11 52.18 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' ILE . 3.4 m -97.05 51.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -160.45 -164.54 15.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -28.84 136.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.13 17.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.49 26.93 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.1 p -130.25 174.33 9.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.49 150.1 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -168.92 136.16 1.56 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.36 28.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -88.38 -36.54 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.8 p -83.46 -19.16 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -45.47 159.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 19.2 m-70 -89.51 149.37 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -111.61 37.37 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 22.5 m-85 -54.36 108.42 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -106.0 119.57 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 43' ' ' HIS . 3.1 tp -57.5 118.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -145.85 163.28 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 m -95.14 150.68 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 m-85 -115.23 149.63 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.26 -13.24 56.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -133.15 162.73 55.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.44 HG22 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -97.48 148.66 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 28.2 m-85 -105.59 136.38 45.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 18.7 t -54.18 158.03 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.18 -25.91 10.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 29.9 t60 -78.07 -63.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 24.5 p -85.46 -46.67 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 97.25 63.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -144.69 141.13 29.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD22 ' CZ ' ' A' ' 30' ' ' PHE . 1.7 tm? -48.52 129.88 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' CD1' ' HB ' ' A' ' 29' ' ' THR . 19.3 mt -81.18 111.96 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.56 162.7 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 44' ' ' GLN . . . 109.33 160.2 19.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.82 -46.55 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 43' ' ' HIS . 1.7 tp -114.45 136.34 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 22' ' ' ILE . 23.6 m170 52.02 44.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 48.5 mt-30 -54.6 -47.13 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.32 -151.39 5.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 mtp -125.78 154.96 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -138.28 118.91 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 8.3 t -63.5 165.83 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.57 -15.94 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.472 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 5.9 t -105.32 -37.15 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.0 p -116.84 -0.71 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER 32.03 53.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.4 ' HE3' ' CG1' ' A' ' 55' ' ' VAL . 26.6 ttp -95.12 107.83 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 29' ' ' THR . 3.9 p30 -68.63 118.08 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.4 ' CG1' ' HE3' ' A' ' 53' ' ' MET . 30.7 m -141.77 157.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 54.7 m80 -69.72 151.76 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -56.46 -28.66 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -93.23 -15.74 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.13 -19.09 40.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.2 m -66.45 -19.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 19.2 tt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.528 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 38.0 m-80 -90.7 -44.04 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 88.8 t -44.68 138.71 3.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.7 131.23 20.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' PRO . 86.0 p -36.42 -67.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 pp -42.15 159.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 10.3 t -160.01 159.84 32.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 102.94 42.83 2.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ptp -173.0 126.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -93.42 31.82 1.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -168.06 123.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.421 HG21 ' NH1' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -68.59 126.45 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 16.6 mm-40 -164.18 141.35 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER 33.94 53.76 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 8.2 ptt180 -95.32 -50.76 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -152.79 -175.22 24.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.583 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 19.0 mmm180 -44.75 170.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.422 HD12 ' N ' ' A' ' 6' ' ' SER . 32.4 mm -89.37 66.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.583 ' CD1' ' HB2' ' A' ' 77' ' ' ARG . 1.9 p90 -145.09 119.56 9.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -125.4 128.7 48.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -117.35 122.44 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.9 119.65 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -134.07 156.94 47.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 m -104.42 149.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 p 43.11 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -46.56 107.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.34 164.67 30.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -132.15 82.5 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -137.68 170.31 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.04 78.71 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.12 -102.08 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.75 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.27 161.07 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 m -53.67 -59.73 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -51.22 178.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -100.74 100.81 13.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.717 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.81 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.331 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -62.63 -37.49 86.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.491 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 33.9 m -119.26 85.43 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -113.64 169.01 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.643 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 20.3 m-70 -105.39 133.02 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -97.12 49.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 29.8 m-85 -67.11 116.76 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.93 116.47 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 9.9 tp -57.67 108.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -141.75 162.99 34.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 p -82.64 153.59 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.39 143.26 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.42 35.03 4.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 p -169.78 155.0 5.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 107.93 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.6 t -123.51 159.5 28.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.671 ' CZ ' ' CD2' ' A' ' 37' ' ' LEU . 92.6 m-85 -119.92 133.76 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -43.75 160.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.14 -28.41 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 51.1 t60 -78.63 -68.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.95 -38.19 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 66.64 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -141.95 149.64 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.671 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.46 126.08 20.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' CD2' ' NE2' ' A' ' 56' ' ' HIS . 95.2 mt -90.68 111.1 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -112.12 178.44 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' C ' ' HG2' ' A' ' 44' ' ' GLN . . . 125.51 148.34 7.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -52.0 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.7 tt -130.28 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CG ' HG12 ' A' ' 42' ' ' ILE . 15.1 m170 46.4 48.14 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 67.9 mt-30 -57.7 -46.82 83.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.48 -163.88 11.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 mtp -126.22 131.43 51.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.66 129.86 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' SG ' HG22 ' A' ' 50' ' ' THR . 2.0 t -74.52 166.9 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -111.61 -22.31 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.401 HG22 ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -94.24 -39.52 10.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 53' ' ' MET . 17.4 p -113.93 -11.01 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 57.47 38.57 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.412 ' SD ' HG13 ' A' ' 55' ' ' VAL . 5.4 ttm -81.23 139.58 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.8 108.52 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG13 ' SD ' ' A' ' 53' ' ' MET . 10.6 m -135.41 150.37 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.507 ' NE2' ' CD2' ' A' ' 38' ' ' LEU . 65.3 m80 -59.56 146.73 39.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.05 -28.13 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -93.44 -31.8 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.403 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 1.3 m -61.36 -34.17 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 29.4 m -45.01 -34.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.448 ' CG2' ' ND2' ' A' ' 62' ' ' ASN . 4.7 tt -64.07 -35.15 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.606 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 1.3 m120 -68.59 -46.11 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.511 ' CG1' ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.25 139.53 35.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.511 ' HD2' ' CG1' ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.79 142.25 47.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.38 -51.73 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -52.1 161.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 10.0 t -158.46 151.15 22.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.44 51.4 2.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.424 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -121.87 7.17 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -51.11 150.81 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.73 -61.56 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 m -65.68 147.56 53.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -137.63 162.13 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -101.35 175.76 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 7.4 tmm_? -132.95 141.55 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.29 131.64 4.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HG2' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -106.7 154.13 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.72 134.2 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.408 ' CD2' ' HG2' ' A' ' 77' ' ' ARG . 2.3 p90 -150.97 136.68 18.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.4 tp -174.66 137.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -125.33 -22.47 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -174.09 105.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -167.51 -176.92 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.9 t -109.29 131.53 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 62.15 41.93 10.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m 45.77 42.09 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.65 70.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -128.29 89.44 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.63 127.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.11 109.24 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -126.31 96.87 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.8 Cg_endo -69.75 -9.43 26.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.09 -40.08 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -84.47 44.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -164.61 129.15 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.98 140.9 35.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -20.91 34.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -72.48 -46.63 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.5 p -65.97 -32.24 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -42.0 151.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -87.63 142.55 27.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.26 31.27 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 21.7 m-85 -53.46 133.89 40.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -127.83 122.61 33.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.518 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 10.5 tp -57.35 105.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -137.05 162.91 32.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.47 152.41 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.3 m-85 -111.71 128.53 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.12 -7.05 84.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 p -141.05 158.64 64.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.682 0.753 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.16 156.19 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 37' ' ' LEU . 52.9 m-85 -108.96 130.21 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.434 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 49.4 t -51.34 158.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -105.11 -30.25 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -71.43 -67.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -80.92 -41.02 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.23 58.93 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.2 p -141.94 150.22 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD21 ' CZ ' ' A' ' 30' ' ' PHE . 2.3 tm? -56.01 128.78 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.6 mt -78.09 117.13 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' A' ' 37' ' ' LEU . 35.7 m-85 -109.38 134.59 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 152.49 148.09 4.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.48 -48.26 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.435 HG13 ' CG ' ' A' ' 43' ' ' HIS . 3.8 tp -125.66 138.26 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.435 ' CG ' HG13 ' A' ' 42' ' ' ILE . 21.3 m80 54.82 52.65 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 40.9 mt-30 -63.12 -61.26 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.66 -156.35 7.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 22.7 mtp -126.77 149.31 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 124.16 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 t -74.48 165.16 25.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.76 -13.23 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.503 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 10.2 t -110.59 -50.51 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 50' ' ' THR . 15.3 p -97.74 -5.01 35.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 9.1 p-10 35.11 54.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.0 ttp -93.51 135.22 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.71 105.1 17.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.09 163.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 62.1 m80 -68.69 151.86 46.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -59.21 -26.52 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -91.54 -32.5 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.01 -33.57 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.1 m -51.29 -24.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.0 tt -71.55 -28.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -90.37 -37.19 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.8 t -55.23 135.57 68.75 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.64 0.733 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 148.89 66.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -83.03 18.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 2.0 mm? -84.69 28.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.503 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 50.3 t -40.03 144.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 31.73 3.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.5 ptp -167.16 123.93 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.781 0.324 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -132.08 38.01 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -139.86 128.24 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.0 t -128.18 145.97 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.75 44.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -49.36 128.07 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -102.27 133.4 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.21 -52.73 0.11 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -80.13 160.57 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -118.77 169.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.451 ' N ' HG12 ' A' ' 78' ' ' ILE . 37.8 m-85 -135.27 158.89 43.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tt -108.5 110.71 22.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.73 113.9 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.28 -24.79 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 45.86 45.13 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.5 p -87.63 39.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.856 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 153.9 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -142.51 171.51 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.04 171.14 29.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -168.94 130.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -140.44 177.48 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.23 -149.39 5.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.53 -178.43 33.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -35.64 12.3 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' THR . 12.0 m-20 45.08 41.17 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' ASP . 41.2 p -34.65 -55.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.37 109.09 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.19 152.88 70.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -26.12 27.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -70.54 -43.12 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 17' ' ' LYS . 16.1 m -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' SER . 13.4 mmmt -33.74 143.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.538 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 34.9 m-70 -83.27 134.35 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -87.49 33.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 27.5 m-85 -54.29 121.21 7.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -118.57 122.88 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.441 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 7.6 tp -59.15 110.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 154.8 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.9 p -82.62 157.03 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -122.41 152.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.91 -7.83 52.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.405 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 59.0 m -134.48 155.89 79.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.1 Cg_endo -69.79 93.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.228 . . . . 0.0 112.317 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.34 150.03 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 37' ' ' LEU . 48.6 m-85 -107.73 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -47.73 160.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -103.5 -38.58 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -68.32 -66.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.11 -36.02 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.59 -22.63 38.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 m -47.15 149.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 2.9 tm? -75.41 135.34 40.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 56' ' ' HIS . 19.6 mt -83.28 111.62 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.6 142.63 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.6 165.3 14.14 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.0 mm? -88.82 -41.98 12.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.8 tt -138.23 150.97 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 26.7 m170 51.85 44.03 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.29 -51.84 68.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.04 -172.6 17.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.44 ' HE3' ' N ' ' A' ' 22' ' ' ILE . 37.4 mtp -120.13 154.33 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -133.95 121.34 21.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.4 t -63.58 168.7 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -104.05 -22.54 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.4 HG23 ' SG ' ' A' ' 48' ' ' CYS . 1.1 t -102.51 -37.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -114.52 -2.91 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 5.7 p-10 30.92 54.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.428 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.5 ttp -89.75 136.24 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' C ' HG11 ' A' ' 55' ' ' VAL . 2.5 m-20 -87.63 120.82 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.418 HG11 ' C ' ' A' ' 54' ' ' ASN . 34.5 m -152.3 166.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.599 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 48.8 m80 -74.78 150.49 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -58.4 -27.04 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -93.42 -25.81 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 m -70.06 -30.14 67.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.2 m -46.88 -38.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.544 ' CG2' ' ND2' ' A' ' 62' ' ' ASN . 15.5 tt -64.64 -30.37 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.544 ' ND2' ' CG2' ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.57 -43.48 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.64 129.59 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 128.69 16.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 p -37.78 -26.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -43.91 106.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.1 t -144.6 156.94 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.38 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.8 mmt -94.46 -36.32 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.0 t70 53.76 40.88 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 38.5 p-80 -66.44 91.75 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 t -81.77 163.89 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -85.34 44.06 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 10.8 tmtt? -123.21 114.36 20.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.85 153.62 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.34 155.88 25.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.9 tmm_? -68.79 138.16 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mt -134.37 35.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.9 p90 -154.9 126.07 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -114.28 161.31 18.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -147.91 168.15 22.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 74.49 47.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -66.18 -179.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.9 p -151.45 152.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.979 0.419 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -43.64 150.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.412 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 m-70 -85.15 138.29 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -97.75 39.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 28.5 m-85 -57.08 134.57 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -129.61 125.58 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.8 tp -59.59 116.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -145.08 163.05 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.1 p -95.42 159.11 15.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -121.98 156.33 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.28 -17.84 14.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -122.69 160.77 47.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.713 0.768 . . . . 0.0 110.786 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.25 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.75 156.09 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -116.58 136.66 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 39.0 t -47.6 159.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -101.19 -28.99 12.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -77.85 -71.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 p -79.84 -36.27 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.4 63.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LEU . 70.9 m -140.06 138.26 35.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -37.33 135.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -102.83 99.35 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -97.35 172.63 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 128.95 153.12 7.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -91.89 -50.05 5.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.51 129.69 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 22' ' ' ILE . 29.4 m170 65.95 45.61 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 26.4 mt-30 -56.02 -60.88 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.4 -160.42 8.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtp -128.49 148.65 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -134.8 127.38 30.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.6 t -67.51 165.55 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -105.0 -13.77 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.0 t -106.8 -43.73 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' ASP . 21.3 p -108.97 2.8 21.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.1 m-20 33.14 54.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.9 ttp -98.26 116.36 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -79.01 120.6 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -146.82 151.91 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.781 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.4 m80 -59.45 156.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.637 ' O ' HG22 ' A' ' 60' ' ' VAL . 27.7 tttt -62.51 -29.14 70.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -92.71 -10.69 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 m -87.75 -24.38 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 57' ' ' LYS . 3.5 m -57.24 -33.93 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 tt -71.09 -28.34 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.59 -37.56 22.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 59' ' ' CYS . 94.4 t -53.95 135.41 57.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.536 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.1 Cg_endo -69.73 119.98 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' PRO . 76.9 p -36.17 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.5 mm? -39.11 101.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 26.3 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.28 159.68 15.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 32.9 m-70 -99.35 140.94 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -110.15 34.46 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -46.65 109.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -109.79 127.4 54.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.644 HD13 ' HE2' ' A' ' 57' ' ' LYS . 7.1 tp -59.74 118.77 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -143.15 162.42 35.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.689 HG23 ' HA ' ' A' ' 42' ' ' ILE . 7.5 m -95.24 140.55 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.6 m-85 -106.48 113.41 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.1 -11.11 17.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.5 p -136.46 154.78 77.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.5 Cg_endo -69.75 98.2 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.9 158.46 15.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CE1' HD23 ' A' ' 37' ' ' LEU . 47.0 m-85 -107.84 130.85 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 48.7 t -47.57 156.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.72 -25.48 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -78.19 -71.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -79.77 -47.33 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.88 58.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LEU . 44.0 m -138.51 126.48 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tm? -35.53 132.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.669 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.7 mt -84.71 108.29 17.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.73 154.01 22.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.71 154.68 10.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -93.89 -45.68 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.689 ' HA ' HG23 ' A' ' 24' ' ' THR . 8.9 tt -123.7 142.95 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.8 m170 54.31 44.8 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -60.99 -54.35 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.529 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -140.56 -153.75 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtp -126.82 142.57 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -129.44 125.69 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.572 ' SG ' HG22 ' A' ' 50' ' ' THR . 10.0 t -65.66 165.45 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.32 -12.84 15.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.572 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.8 t -107.87 -37.58 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 14.1 p -114.57 -5.54 12.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 39.97 54.56 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 27.1 ttp -101.25 105.75 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' HG13 ' A' ' 55' ' ' VAL . 2.9 m-20 -63.2 129.39 40.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 54' ' ' ASN . 18.6 m -157.25 144.33 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 38' ' ' LEU . 52.1 m80 -56.96 163.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.644 ' HE2' HD13 ' A' ' 22' ' ' ILE . 25.1 mttm -66.92 -28.85 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.0 pt20 -92.47 -7.97 45.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.15 -31.84 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 57' ' ' LYS . 32.0 m -55.14 -37.1 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' GLN . 14.3 tt -67.68 -23.42 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -84.46 -37.3 21.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 64' ' ' PRO . 97.4 t -60.41 138.62 92.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.3 Cg_endo -69.8 137.59 35.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' PRO . 93.4 p -34.05 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 mt -47.84 144.85 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 50' ' ' THR . 4.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.0 mmtm -34.71 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -78.42 158.19 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.98 33.5 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -51.69 126.59 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.27 131.23 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 43' ' ' HIS . 6.7 tp -59.75 114.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.97 162.52 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -96.3 145.45 25.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -116.26 156.5 26.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.37 -8.1 33.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 m -133.65 159.02 74.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.79 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.297 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.551 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -94.32 156.64 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.796 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 44.5 m-85 -116.73 124.09 48.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -43.26 159.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -105.79 -29.96 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -75.06 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -83.81 -42.25 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.74 61.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -139.63 133.48 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.796 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -42.78 135.26 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 37' ' ' LEU . 82.0 mt -88.28 120.66 29.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -98.62 153.08 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.71 162.25 11.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.76 -45.8 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 tt -121.12 142.45 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.7 m170 52.41 41.34 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -54.98 -53.32 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -145.15 -150.67 5.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 mtp -131.7 153.11 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.33 129.41 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.7 t -63.66 165.4 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -99.48 -20.19 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -107.83 -49.51 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.558 ' N ' HG23 ' A' ' 50' ' ' THR . 3.9 p -95.99 -4.54 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.9 p30 32.61 54.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.1 ttp -95.29 116.12 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -68.63 124.78 24.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -153.36 155.37 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.571 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.5 m80 -66.63 162.22 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 60' ' ' VAL . 6.3 mtpm? -65.83 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.936 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.2 pt20 -92.08 -21.18 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 -26.07 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 56' ' ' HIS . 12.5 m -59.33 -22.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.936 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.6 tt -79.02 -21.61 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.96 -24.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.5 128.24 89.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.76 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' CYS . 80.0 p -37.39 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.1 mm? -40.27 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' SER . 48.8 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 67' ' ' CYS . 74.0 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.88 149.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 32.1 m-70 -82.74 136.42 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -95.75 42.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.37 120.16 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 129.21 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 22' ' ' ILE . 6.7 tp -60.23 97.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -134.84 159.79 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.2 t -100.62 148.27 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -99.78 150.73 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.11 61.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.42 164.61 37.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.75 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -110.49 153.86 24.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 8.0 m-85 -116.27 127.27 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 t -45.53 157.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.8 -22.09 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -82.55 -62.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.16 -47.6 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 51.54 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -140.86 140.28 34.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.0 tp -54.52 145.56 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' NE2' ' A' ' 56' ' ' HIS . 12.5 mt -96.57 106.25 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.2 m-85 -90.02 158.83 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.29 146.38 6.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.71 -52.94 13.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -134.33 154.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.643 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.3 m170 55.98 36.55 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -56.75 -43.29 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -157.29 -140.94 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mtp -135.36 146.05 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -130.24 129.15 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 50' ' ' THR . 4.4 t -73.84 157.7 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -103.77 -0.42 29.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.505 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -117.97 -41.46 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.9 p -114.09 5.74 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' CYS . 14.9 m-20 32.64 52.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 ttp -99.35 109.81 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.28 128.38 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -151.17 160.62 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.588 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.7 m80 -70.56 150.83 45.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 60' ' ' VAL . 1.1 mmmp? -56.24 -30.25 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 61' ' ' ILE . 16.9 pt20 -91.45 -9.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.68 -18.3 29.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.6 m -72.2 -24.59 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -70.11 -22.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.38 -45.75 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.2 139.64 34.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 124.66 11.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' PRO . 47.1 p -33.19 -59.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -36.97 155.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.782 ' N ' HD12 ' A' ' 66' ' ' LEU . 10.9 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 65' ' ' SER . 59.7 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -50.17 149.29 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -90.94 133.23 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.9 34.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -51.12 117.64 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -117.24 126.29 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 43' ' ' HIS . 10.0 tp -60.66 110.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -144.41 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.4 p -87.73 159.37 18.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -119.49 126.69 51.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -21.09 60.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -137.61 163.02 51.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.7 101.38 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.643 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 149.61 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -100.63 129.3 46.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 44.5 t -50.96 159.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -104.64 -32.43 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -66.93 -65.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.36 -45.91 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.15 57.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -135.44 134.85 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.731 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.9 tm? -42.71 126.77 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.6 mt -79.41 112.36 16.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' ' 37' ' ' LEU . 26.2 m-85 -94.25 174.22 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.28 152.72 24.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.94 -50.49 6.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 43' ' ' HIS . 16.5 tt -117.89 153.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.838 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.2 m170 47.18 44.29 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 42' ' ' ILE . 2.5 mp0 -60.94 -55.85 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.01 -163.07 9.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 mtp -131.91 145.09 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -126.09 139.12 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.611 ' SG ' HG22 ' A' ' 50' ' ' THR . 14.9 t -76.32 165.7 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.97 -0.03 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.611 HG22 ' SG ' ' A' ' 48' ' ' CYS . 3.4 t -127.57 -37.18 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -114.3 -1.46 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' CYS . 8.2 m-20 32.19 54.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.7 ttp -90.68 125.96 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG21 ' A' ' 29' ' ' THR . 4.8 m120 -80.33 115.45 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.39 154.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.666 ' CD2' HD23 ' A' ' 38' ' ' LEU . 69.3 m80 -67.64 157.61 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.604 ' O ' HG22 ' A' ' 60' ' ' VAL . 33.4 tttt -60.42 -31.94 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.5 pp0? -92.67 -9.06 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.72 -21.68 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.8 m -65.82 -31.06 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.4 tt -67.78 -22.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -93.79 -33.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.67 131.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 151.0 69.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 m -85.25 21.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -87.87 28.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 50' ' ' THR . 49.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.17 160.03 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 26.5 m-70 -95.85 142.4 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -108.08 40.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -56.05 139.21 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -142.34 133.77 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 22' ' ' ILE . 11.0 tp -64.97 114.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -142.88 161.63 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -91.29 138.34 31.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.53 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.05 37.29 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -172.17 153.01 2.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.39 3.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 38' ' ' LEU . 5.5 t -121.18 150.62 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.3 m-85 -110.63 122.57 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.2 t -41.3 155.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -101.44 -27.92 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 43.4 t60 -75.61 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.66 -43.19 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.02 63.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.1 m -143.73 134.32 24.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.4 tm? -46.61 125.25 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.665 HD23 ' NE2' ' A' ' 56' ' ' HIS . 85.6 mt -86.28 111.17 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 37' ' ' LEU . 58.2 m-85 -95.01 172.82 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.94 147.97 8.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -49.9 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.11 139.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.89 46.13 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 10.6 mp0 -61.39 -61.31 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.92 -161.32 8.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.9 mtp -119.36 143.36 47.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -127.48 132.63 49.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 50' ' ' THR . 6.3 t -72.98 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.0 -11.84 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 48' ' ' CYS . 9.8 t -112.47 -30.95 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' ASP . 8.3 p -120.47 -2.48 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.6 p-10 34.46 53.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.1 ttp -97.48 116.77 30.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG13 ' A' ' 55' ' ' VAL . 1.9 m120 -74.14 134.34 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 54' ' ' ASN . 20.1 m -159.98 162.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.665 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.9 m80 -74.38 153.47 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -58.82 -29.16 66.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' ILE . 17.4 pt20 -92.04 -8.08 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.62 -37.92 17.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 57' ' ' LYS . 16.0 m -50.77 -24.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.0 tt -74.2 -29.33 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.426 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 54.5 m-80 -81.85 -38.08 25.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.613 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -49.34 137.38 15.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.613 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.79 140.91 43.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -40.12 -33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 47.8 mt -59.55 158.48 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 13.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -38.04 142.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -84.84 140.27 31.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -98.88 36.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD2' HG12 ' A' ' 60' ' ' VAL . 25.6 m-85 -55.15 122.26 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 120.86 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.576 HD13 ' CE ' ' A' ' 57' ' ' LYS . 9.4 tp -58.32 122.77 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 36.7 t60 -143.06 162.87 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 m -86.14 131.95 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 7.3 m-85 -107.71 150.76 26.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.41 7.09 12.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.2 p -134.25 161.09 65.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 54.3 Cg_endo -69.73 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.482 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -100.7 159.44 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -132.26 136.56 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.5 t -56.44 128.05 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -73.96 -19.88 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -81.93 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.76 -58.85 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.74 22.7 3.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.0 m -113.35 148.49 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 29' ' ' THR . 7.0 tp -57.68 152.24 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.478 HD12 ' HB ' ' A' ' 29' ' ' THR . 33.6 mt -100.44 98.97 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -174.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.83 155.05 29.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -95.18 -47.05 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -126.66 136.01 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CG ' HD13 ' A' ' 42' ' ' ILE . 0.6 OUTLIER 62.1 52.02 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -64.66 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.32 -174.38 13.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.727 ' SD ' HG21 ' A' ' 60' ' ' VAL . 7.1 mtp -105.26 138.59 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -119.33 123.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.55 162.53 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -106.13 -9.38 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -111.32 -43.03 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.4 p -109.65 2.41 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.9 m-20 33.99 53.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ttp -100.51 122.81 43.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 129.26 34.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.411 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 m -150.74 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 42.9 m80 -76.88 148.03 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' CE ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -52.89 -35.28 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 61' ' ' ILE . 26.8 pt20 -86.8 -7.55 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 m -89.21 -39.21 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.727 HG21 ' SD ' ' A' ' 46' ' ' MET . 2.8 m -48.31 -34.58 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -74.12 -25.67 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -87.99 -32.35 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 64' ' ' PRO . 95.4 t -58.96 133.54 87.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 127.93 15.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' CYS . 4.5 t -37.88 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -38.63 95.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' SER . 34.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -42.97 163.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 24.4 m-70 -97.58 137.23 36.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.63 37.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 19.4 m-85 -57.34 119.19 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -116.82 119.59 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.616 HG23 ' O ' ' A' ' 22' ' ' ILE . 8.6 tp -60.72 114.03 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -143.32 159.7 41.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -88.79 155.15 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -120.9 148.91 43.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.58 -1.73 53.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 1.7 m -137.17 155.53 75.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.698 0.761 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.8 Cg_endo -69.78 98.04 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 158.38 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 37' ' ' LEU . 61.3 m-85 -111.51 124.05 51.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.3 t -45.57 160.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -105.6 -38.0 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -71.11 -68.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 p -85.72 -35.53 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.0 -34.43 5.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 m -40.39 150.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 29' ' ' THR . 6.4 tp -73.43 151.86 40.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 29' ' ' THR . 17.5 mt -92.52 108.35 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -114.34 163.92 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.2 163.59 11.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 tt -93.59 -43.3 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 43' ' ' HIS . 3.0 tp -128.56 140.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' ILE . 12.3 m-70 57.8 40.03 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -47.87 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -144.19 -174.6 16.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.497 ' SD ' HG11 ' A' ' 60' ' ' VAL . 11.7 mtp -115.62 145.44 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.55 127.49 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 t -71.23 166.26 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -108.98 -20.69 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 -36.32 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 10.4 p -113.82 -6.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 47' ' ' LYS . 4.0 t70 41.3 54.4 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.2 ttp -101.72 132.48 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -89.62 130.35 35.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 54' ' ' ASN . 21.8 m -156.91 142.74 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 73.3 m80 -60.3 161.98 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.2 mttt -61.83 -31.71 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.818 ' O ' HG22 ' A' ' 61' ' ' ILE . 27.9 pt20 -91.45 -8.12 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.77 -25.56 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.7 m -68.31 -26.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.818 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.5 tt -66.36 -23.9 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.91 -43.1 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.63 HG13 ' HD2' ' A' ' 64' ' ' PRO . 58.5 t -53.43 138.18 49.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.75 164.89 32.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -81.61 38.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 27.8 mt -124.99 141.26 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.9 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.849 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -39.8 158.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.441 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 30.1 m-70 -81.65 164.66 21.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -124.83 32.02 5.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 27.3 m-85 -52.11 138.8 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -126.0 122.41 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.691 HD13 ' HG3' ' A' ' 57' ' ' LYS . 9.6 tp -60.16 110.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 24' ' ' THR . 66.4 t-80 -143.9 162.95 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 42' ' ' ILE . 24.1 p -88.65 156.91 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.54 129.88 53.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.55 -9.61 83.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -129.62 154.91 80.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 97.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.695 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -96.89 158.84 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -111.65 137.75 49.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.68 159.49 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -105.72 -36.28 7.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -71.57 -68.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.89 -36.1 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.25 -30.8 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -47.65 148.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.75 151.88 46.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 ' HB ' ' A' ' 29' ' ' THR . 15.6 mt -94.72 109.82 21.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.77 162.83 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.11 149.57 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.28 -51.53 10.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.457 ' HA ' HG22 ' A' ' 24' ' ' THR . 18.5 tt -131.97 139.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 63.66 45.38 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.56 -74.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.3 -170.78 13.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.495 ' HE2' ' N ' ' A' ' 22' ' ' ILE . 19.6 mtp -124.88 152.86 43.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -133.35 130.2 38.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 6.3 t -70.78 167.14 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.79 -17.68 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 51' ' ' CYS . 3.2 t -108.75 -47.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.3 p -102.51 -2.03 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 7.3 p-10 32.12 54.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.9 ttp -89.72 123.12 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -84.13 109.07 17.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 HG12 ' A' ' 60' ' ' VAL . 27.6 m -135.97 146.61 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.537 ' CD2' HD23 ' A' ' 38' ' ' LEU . 39.9 m80 -55.33 137.63 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HG3' HD13 ' A' ' 22' ' ' ILE . 9.8 tmtt? -47.22 -25.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.92 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.2 pt20 -92.96 -32.68 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.12 -31.04 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG11 ' SD ' ' A' ' 46' ' ' MET . 4.3 m -53.78 -25.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 58' ' ' GLN . 2.3 tp -63.52 -30.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.489 ' OD1' HG23 ' A' ' 61' ' ' ILE . 15.9 m120 -96.94 -39.02 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -38.05 130.72 0.97 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.2 p -41.75 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -47.29 133.18 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 20.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -76.04 163.38 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 61.0 m-70 -106.24 132.02 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -98.17 40.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 33.2 m-85 -53.91 138.42 36.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -138.58 131.45 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.791 HD13 ' HE2' ' A' ' 57' ' ' LYS . 8.4 tp -59.24 108.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 47' ' ' LYS . 1.5 p80 -137.51 161.65 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 p -91.02 155.27 18.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -117.28 112.51 20.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.26 -11.58 20.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -137.96 155.62 74.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 99.43 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.01 159.36 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m-85 -110.5 126.6 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 38.5 t -42.9 157.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -106.88 -22.81 12.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -79.78 -60.37 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.62 -40.9 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.68 62.88 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -140.77 131.25 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tm? -39.42 124.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' NE2' ' A' ' 56' ' ' HIS . 16.2 mt -80.13 118.1 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 50.1 m-85 -103.36 155.02 18.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.64 153.63 8.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.87 -46.74 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.87 142.14 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.712 ' HB3' HD11 ' A' ' 22' ' ' ILE . 32.0 m170 43.34 54.31 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -61.36 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -135.45 -153.29 6.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.431 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.692 ' SD ' HG11 ' A' ' 60' ' ' VAL . 19.1 mtp -127.43 146.16 50.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 13.9 ttmm -133.26 128.52 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 165.34 9.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -102.23 -11.38 18.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.7 t -112.09 -49.14 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 19.9 p -100.59 -1.33 35.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 68.5 m-20 34.31 54.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 25.3 ttp -90.86 119.24 30.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 54' ' ' ASN . 1.2 p30 -77.31 118.65 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -144.78 170.47 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.781 ' NE2' HD23 ' A' ' 38' ' ' LEU . 38.3 m80 -81.6 160.75 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HE2' HD13 ' A' ' 22' ' ' ILE . 6.8 tptp -61.95 -36.23 80.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.803 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.5 pm0 -88.36 -10.54 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.8 m -83.23 -30.25 27.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.5 m -58.67 -24.61 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' GLN . 12.0 tt -81.05 -20.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -95.09 -25.01 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 59' ' ' CYS . 61.5 t -60.97 133.49 92.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.666 0.746 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.79 166.89 26.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -82.75 37.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -103.43 86.66 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 47.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -40.72 158.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 66' ' ' LEU . 18.7 m-70 -95.44 148.86 22.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -102.8 22.02 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -41.42 123.73 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.48 129.8 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 22' ' ' ILE . 6.8 tp -64.26 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -145.79 144.2 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 7.4 t -88.42 149.85 23.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 m-85 -100.78 149.03 24.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.38 -4.7 64.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -132.33 157.76 77.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 101.0 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.415 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -105.21 154.03 20.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 50.6 m-85 -107.4 120.72 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -41.05 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.86 -27.04 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -81.24 -73.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.4 p -72.34 -46.75 54.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.12 31.36 5.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -114.96 137.02 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 3.6 tp -50.49 150.06 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD12 ' HB ' ' A' ' 29' ' ' THR . 9.3 mt -102.33 124.75 48.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -115.77 160.95 19.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.5 160.2 10.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -46.38 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' CG ' ' A' ' 43' ' ' HIS . 10.4 tp -128.42 153.57 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.552 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.7 m80 44.2 49.99 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.19 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.1 -151.04 6.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.459 ' HG3' HG11 ' A' ' 60' ' ' VAL . 29.3 mmm -135.51 132.66 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -119.53 122.72 42.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.621 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.5 t -64.26 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -107.21 -4.32 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.621 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.5 t -119.03 -37.79 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -116.33 0.3 12.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER 33.08 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.0 ttp -94.86 113.08 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -74.38 125.51 28.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -154.68 138.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.404 ' NE2' HD23 ' A' ' 38' ' ' LEU . 68.6 m80 -43.31 153.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -29.2 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.819 ' O ' HG22 ' A' ' 61' ' ' ILE . 15.5 pm0 -92.68 -16.0 26.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.46 -31.16 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 46' ' ' MET . 10.7 m -53.67 -22.91 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.819 HG22 ' O ' ' A' ' 58' ' ' GLN . 6.8 tt -72.54 -25.74 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.46 -39.77 15.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 64' ' ' PRO . 62.1 t -52.98 137.88 45.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.731 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.73 129.76 18.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' PRO . 64.1 m -33.71 -37.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 24.9 mt -53.61 163.21 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 50' ' ' THR . 12.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 52.0 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -46.23 147.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 24.7 m-70 -78.16 172.08 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -133.9 43.22 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.3 140.47 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 124.46 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 22' ' ' ILE . 9.6 tp -57.53 107.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -140.78 161.11 38.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -98.31 144.68 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -104.99 161.82 13.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.58 -13.15 24.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.3 p -131.77 160.43 67.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.653 0.74 . . . . 0.0 110.836 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 53.7 Cg_endo -69.73 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.535 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -101.02 156.41 17.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' A' ' 37' ' ' LEU . 56.1 m-85 -110.17 134.97 51.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.17 155.31 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.92 -32.05 9.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.18 -68.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -84.6 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.63 6.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -111.32 141.1 45.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 30' ' ' PHE . 5.2 tp -52.84 150.23 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.535 HD12 ' HB ' ' A' ' 29' ' ' THR . 44.2 mt -98.27 93.46 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 164.48 14.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 41' ' ' LEU . . . 134.06 161.49 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.677 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -99.82 -45.99 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.76 129.22 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CG ' HD13 ' A' ' 42' ' ' ILE . 42.7 m170 58.92 54.36 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -55.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.58 -160.78 10.13 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 mtp -113.67 153.79 28.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -134.77 132.0 38.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.4 t -78.22 165.15 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -107.95 -8.46 15.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.493 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -113.66 -42.29 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -109.59 7.58 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 p-10 33.06 42.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 3.4 ttm -77.68 149.59 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 53' ' ' MET . 0.6 OUTLIER -118.51 107.03 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 60' ' ' VAL . 15.4 m -134.94 170.39 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -80.23 162.38 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' O ' HG22 ' A' ' 60' ' ' VAL . 39.1 tttm -58.82 -35.74 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.465 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.9 pt20 -88.96 -6.4 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.95 -38.17 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 57' ' ' LYS . 15.7 m -55.31 -40.81 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.44 -34.59 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -80.08 -44.85 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.0 t -42.45 140.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.69 118.36 5.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 64' ' ' PRO . 6.9 t -30.4 -51.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -46.76 152.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.5 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 58.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' SER . 58.6 mmtt -36.91 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -88.91 160.31 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -114.15 23.48 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 26.0 m-85 -43.09 135.68 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 122.73 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 43' ' ' HIS . 9.3 tp -59.13 120.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 2.1 m-70 -144.23 158.51 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 m -93.17 131.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 5.6 m-85 -113.83 149.01 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.21 15.87 58.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -143.76 158.53 56.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.6 Cg_endo -69.75 97.58 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.858 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -86.89 138.5 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -104.93 128.5 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.01 159.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -107.21 -31.34 8.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -77.09 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -79.86 -33.97 39.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.69 -28.32 16.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 m -52.99 152.29 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 38' ' ' LEU . 5.3 tp -70.64 153.13 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.858 HD12 ' HB ' ' A' ' 29' ' ' THR . 37.3 mt -94.44 91.22 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -72.15 179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 81.63 77.85 1.01 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.0 mp -30.3 -49.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.6 125.37 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.2 m80 56.89 43.92 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 40' ' ' GLY . 30.3 mt-30 -47.95 -60.65 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -146.51 -150.86 5.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.928 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.6 mtp -128.6 155.88 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -136.87 130.12 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 7.3 t -71.58 165.29 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -104.9 -17.76 14.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -105.39 -39.97 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 11.2 p -112.7 -2.42 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 1.3 m-20 33.92 54.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.2 ttp -95.79 116.61 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 23.9 m-80 -71.21 130.43 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 34.4 m -159.78 144.36 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.598 ' HA ' HD22 ' A' ' 38' ' ' LEU . 48.5 m80 -46.97 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 60' ' ' VAL . 46.9 tttm -78.01 -33.64 51.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -89.38 -33.13 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.9 m -57.29 -19.54 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.928 HG11 ' SD ' ' A' ' 46' ' ' MET . 18.1 m -62.75 -20.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.2 tt -80.93 -22.09 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -102.56 -26.32 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 59' ' ' CYS . 10.1 t -49.71 131.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 67' ' ' CYS . 39.8 m -39.07 -27.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.48 ' CD2' ' H ' ' A' ' 66' ' ' LEU . 3.1 mm? -38.64 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 50' ' ' THR . 31.9 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' CYS . 59.3 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -44.47 151.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 26.4 m-70 -81.15 150.29 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -112.99 35.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 24.3 m-85 -52.3 146.85 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -145.43 131.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 22' ' ' ILE . 6.6 tp -61.5 100.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -140.27 149.61 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -87.34 147.11 25.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -99.18 151.04 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.5 -13.08 80.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -141.65 163.37 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.1 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -98.0 158.99 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.933 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 23.4 m-85 -111.88 126.51 55.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 29.6 t -43.56 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -109.06 -20.93 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 16.2 t60 -84.98 -67.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.66 -44.94 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.05 62.09 1.02 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -139.91 144.27 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -57.3 127.84 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 37' ' ' LEU . 14.6 mt -78.53 125.15 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.54 168.85 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.32 150.81 13.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.45 -50.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.0 tt -133.59 154.2 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' HB3' HD11 ' A' ' 22' ' ' ILE . 9.3 m-70 56.85 36.28 27.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -54.13 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.571 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -133.0 -138.47 4.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 mtp -136.73 144.02 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -127.37 130.22 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.9 t -73.82 165.49 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -105.23 -16.09 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.42 HG22 ' SG ' ' A' ' 48' ' ' CYS . 1.9 t -106.47 -43.42 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.6 p -106.73 4.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' CYS . 16.7 m-20 29.53 52.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 ttp -93.83 133.42 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.728 ' ND2' HG21 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.02 113.05 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.81 155.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.65 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.9 m80 -69.68 156.23 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -60.88 -29.27 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -7.39 47.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 m -91.96 -17.91 24.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.1 m -67.34 -29.95 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.02 -25.23 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 26.1 m-80 -86.45 -43.27 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -47.17 138.7 7.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.175 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 130.38 19.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.377 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.0 m -34.81 -66.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.4 pp -42.22 157.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 3.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 5.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.943 0.402 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 6.6 mtmp? -35.18 152.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 43.1 m-70 -83.27 133.88 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -86.73 35.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 17.9 m-85 -53.95 134.49 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.69 135.17 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 43' ' ' HIS . 8.6 tp -57.24 110.2 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -138.23 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -92.36 132.92 36.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 38' ' ' LEU . 91.1 m-85 -88.15 128.91 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.33 -16.12 80.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -144.54 156.58 56.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.636 2.224 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.529 ' CG2' HD12 ' A' ' 38' ' ' LEU . 2.2 t -113.52 157.64 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -97.6 121.65 39.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -41.85 156.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -99.91 -35.89 9.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -72.6 -72.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -80.56 -35.36 34.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.85 -29.84 10.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.5 m -49.18 149.56 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.862 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.8 tp -72.79 150.93 42.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 56' ' ' HIS . 77.0 mt -95.02 106.8 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.862 ' CE2' HD23 ' A' ' 37' ' ' LEU . 16.0 m-85 -99.73 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 161.01 11.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.08 -42.68 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.503 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.4 tt -138.86 143.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.757 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.0 m170 52.52 52.05 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -69.12 -57.23 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -137.16 -145.72 5.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 60' ' ' VAL . 21.6 mtp -134.76 154.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 115.91 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.1 t -55.22 168.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.55 -28.83 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 t -94.94 -39.75 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 5.9 p -109.6 -7.93 15.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.4 p30 38.47 54.97 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.449 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 33.3 ttp -91.96 138.75 31.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.47 117.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.411 HG11 ' CE ' ' A' ' 53' ' ' MET . 35.6 m -147.83 151.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.71 ' CD2' HD23 ' A' ' 38' ' ' LEU . 76.9 m80 -62.34 152.97 32.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.7 mmmt -57.21 -28.15 62.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.453 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -90.21 -35.9 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.0 -31.22 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 46' ' ' MET . 6.3 m -53.88 -29.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 58' ' ' GLN . 7.2 tt -66.37 -31.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -79.34 -43.83 22.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.512 HG13 ' HD2' ' A' ' 64' ' ' PRO . 46.8 t -48.15 136.01 11.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -68.54 70.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -166.69 153.44 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' CYS . 54.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -50.74 154.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 24.1 m-70 -88.67 138.16 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -105.41 70.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 44.8 m-85 -85.45 138.39 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.62 132.13 38.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.919 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.0 tp -60.37 114.75 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.13 163.12 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 m -102.98 142.93 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.7 m-85 -108.75 132.07 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.8 -2.96 83.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 p -133.03 156.25 80.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.5 Cg_endo -69.71 101.1 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.464 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.47 159.37 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.98 127.53 53.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 17.2 t -49.02 158.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -107.58 -23.02 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.37 -63.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.89 -47.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.58 30.61 4.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -115.25 143.2 45.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 28' ' ' PRO . 4.9 tp -52.38 150.74 4.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.774 HD23 ' NE2' ' A' ' 56' ' ' HIS . 72.3 mt -100.77 85.04 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.21 172.51 12.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.72 140.63 6.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.86 -54.8 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.421 HG12 ' CG ' ' A' ' 43' ' ' HIS . 17.9 tt -125.4 149.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.919 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.6 m80 48.48 51.27 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 29.9 mt-30 -61.61 -58.63 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.09 -161.12 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtp -118.76 141.03 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -123.07 133.79 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -69.41 165.43 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.35 -15.87 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.2 t -110.03 -48.63 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.517 ' N ' HG23 ' A' ' 50' ' ' THR . 10.2 p -101.97 8.13 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' CYS . 23.8 m-20 33.12 46.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.408 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.9 ttm -80.54 124.18 28.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -94.06 100.48 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' A' ' 60' ' ' VAL . 3.2 m -124.24 160.2 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.774 ' NE2' HD23 ' A' ' 38' ' ' LEU . 70.1 m80 -74.38 158.02 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HE3' HD13 ' A' ' 22' ' ' ILE . 17.3 mttt -55.34 -33.77 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.7 pp0? -92.89 -7.57 45.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.25 -21.85 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.695 HG12 ' CG2' ' A' ' 55' ' ' VAL . 35.0 m -69.88 -28.76 37.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 58' ' ' GLN . 20.5 tt -70.38 -19.5 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 64' ' ' PRO . 64.5 t -44.88 138.52 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.9 Cg_endo -69.81 130.91 20.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.632 2.222 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.1 p -32.48 -62.86 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.1 pp -45.63 159.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 6.0 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 59.8 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.968 0.413 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -45.47 159.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 19.2 m-70 -89.51 149.37 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -111.61 37.37 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 22.5 m-85 -54.36 108.42 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -106.0 119.57 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.899 HD11 ' HB3' ' A' ' 43' ' ' HIS . 3.1 tp -57.5 118.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -145.85 163.28 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 m -95.14 150.68 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 m-85 -115.23 149.63 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.26 -13.24 56.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -133.15 162.73 55.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.766 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -97.48 148.66 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 37' ' ' LEU . 28.2 m-85 -105.59 136.38 45.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 18.7 t -54.18 158.03 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.18 -25.91 10.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 29.9 t60 -78.07 -63.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 24.5 p -85.46 -46.67 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 97.25 63.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -144.69 141.13 29.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.7 tm? -48.52 129.88 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.766 HD12 ' HB ' ' A' ' 29' ' ' THR . 19.3 mt -81.18 111.96 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.56 162.7 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 44' ' ' GLN . . . 109.33 160.2 19.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.82 -46.55 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.431 HG13 ' CG ' ' A' ' 43' ' ' HIS . 1.7 tp -114.45 136.34 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.899 ' HB3' HD11 ' A' ' 22' ' ' ILE . 23.6 m170 52.02 44.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 48.5 mt-30 -54.6 -47.13 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -152.32 -151.39 5.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.587 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.5 mtp -125.78 154.96 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -138.28 118.91 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 50' ' ' THR . 8.3 t -63.5 165.83 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.57 -15.94 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 48' ' ' CYS . 5.9 t -105.32 -37.15 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.0 p -116.84 -0.71 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER 32.03 53.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.6 ttp -95.12 107.83 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.63 118.08 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -141.77 157.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 38' ' ' LEU . 54.7 m80 -69.72 151.76 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HE2' HD13 ' A' ' 22' ' ' ILE . 12.9 mmtt -56.46 -28.66 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.683 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.4 pt20 -93.23 -15.74 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.13 -19.09 40.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.587 HG11 ' SD ' ' A' ' 46' ' ' MET . 15.2 m -66.45 -19.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.2 tt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.0 m-80 -90.7 -44.04 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 64' ' ' PRO . 88.8 t -44.68 138.71 3.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.7 131.23 20.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' PRO . 86.0 p -36.42 -67.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.3 pp -42.15 159.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 50' ' ' THR . 10.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 33.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -113.64 169.01 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.643 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 20.3 m-70 -105.39 133.02 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -97.12 49.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 29.8 m-85 -67.11 116.76 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.93 116.47 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 22' ' ' ILE . 9.9 tp -57.67 108.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -141.75 162.99 34.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 p -82.64 153.59 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.39 143.26 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.42 35.03 4.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 p -169.78 155.0 5.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 107.93 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 HD12 ' A' ' 38' ' ' LEU . 9.6 t -123.51 159.5 28.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 92.6 m-85 -119.92 133.76 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -43.75 160.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.14 -28.41 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' NE2' ' CB ' ' A' ' 62' ' ' ASN . 56.8 t-80 -78.63 -68.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.95 -38.19 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 66.64 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -141.95 149.64 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.46 126.08 20.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 29' ' ' THR . 95.2 mt -90.68 111.1 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -112.12 178.44 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 44' ' ' GLN . . . 125.51 148.34 7.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -52.0 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.7 tt -130.28 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.683 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.1 m170 46.4 48.14 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 67.9 mt-30 -57.7 -46.82 83.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -151.48 -163.88 11.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 8.9 mtp -126.22 131.43 51.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.66 129.86 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 t -74.52 166.9 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -111.61 -22.31 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.24 -39.52 10.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 53' ' ' MET . 17.4 p -113.93 -11.01 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 57.47 38.57 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.426 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.4 ttm -81.23 139.58 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.8 108.52 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.41 150.37 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.646 ' NE2' HD23 ' A' ' 38' ' ' LEU . 65.3 m80 -59.56 146.73 39.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -47.05 -28.13 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 61' ' ' ILE . 10.8 pt20 -93.44 -31.8 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.559 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.3 m -61.36 -34.17 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 46' ' ' MET . 29.4 m -45.01 -34.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 58' ' ' GLN . 4.7 tt -64.07 -35.15 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.559 ' ND2' ' HA ' ' A' ' 59' ' ' CYS . 2.1 m-20 -68.59 -46.11 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.25 139.53 35.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.79 142.25 47.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.38 -51.73 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.779 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -52.1 161.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 10.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.941 0.4 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -42.0 151.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -87.63 142.55 27.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.26 31.27 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 21.7 m-85 -53.46 133.89 40.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -127.83 122.61 33.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 22' ' ' ILE . 10.5 tp -57.35 105.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -137.05 162.91 32.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.47 152.41 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.3 m-85 -111.71 128.53 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.12 -7.05 84.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 p -141.05 158.64 64.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.682 0.753 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.605 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -100.16 156.19 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' HD23 ' A' ' 37' ' ' LEU . 52.9 m-85 -108.96 130.21 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 49.4 t -51.34 158.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -105.11 -30.25 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 79.2 t60 -71.43 -67.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -80.92 -41.02 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.23 58.93 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.2 p -141.94 150.22 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -56.01 128.78 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD23 ' NE2' ' A' ' 56' ' ' HIS . 64.6 mt -78.09 117.13 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' A' ' 37' ' ' LEU . 35.7 m-85 -109.38 134.59 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 152.49 148.09 4.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.48 -48.26 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.451 HG13 ' CG ' ' A' ' 43' ' ' HIS . 3.8 tp -125.66 138.26 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.451 ' CG ' HG13 ' A' ' 42' ' ' ILE . 21.3 m80 54.82 52.65 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 40.9 mt-30 -63.12 -61.26 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.66 -156.35 7.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HG11 ' A' ' 60' ' ' VAL . 22.7 mtp -126.77 149.31 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 124.16 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 t -74.48 165.16 25.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.76 -13.23 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 51' ' ' CYS . 10.2 t -110.59 -50.51 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 50' ' ' THR . 15.3 p -97.74 -5.01 35.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 9.1 p-10 35.11 54.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.406 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.0 ttp -93.51 135.22 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.71 105.1 17.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.09 163.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.628 ' NE2' HD23 ' A' ' 38' ' ' LEU . 62.1 m80 -68.69 151.86 46.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.566 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.7 tmtt? -59.21 -26.52 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.677 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -91.54 -32.5 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.01 -33.57 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.1 m -51.29 -24.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 58' ' ' GLN . 10.0 tt -71.55 -28.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 66.4 m-80 -90.37 -37.19 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 64' ' ' PRO . 89.8 t -55.23 135.57 68.75 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.64 0.733 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.77 148.89 66.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -83.03 18.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 2.0 mm? -84.69 28.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.503 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 50.3 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 17' ' ' LYS . 16.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.942 0.401 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' SER . 13.4 mmmt -33.74 143.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 34.9 m-70 -83.27 134.35 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -87.49 33.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 27.5 m-85 -54.29 121.21 7.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -118.57 122.88 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.6 tp -59.15 110.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 154.8 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 43' ' ' HIS . 76.9 p -82.62 157.03 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -122.41 152.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.91 -7.83 52.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.0 m -134.48 155.89 79.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 93.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.228 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.584 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -89.34 150.03 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.922 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 48.6 m-85 -107.73 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -47.73 160.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -103.5 -38.58 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.32 -66.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.11 -36.02 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.59 -22.63 38.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 m -47.15 149.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.922 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -75.41 135.34 40.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.861 HD23 ' CD2' ' A' ' 56' ' ' HIS . 19.6 mt -83.28 111.62 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.6 142.63 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.6 165.3 14.14 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 41' ' ' LEU . 3.0 mm? -88.82 -41.98 12.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.8 tt -138.23 150.97 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.7 m170 51.85 44.03 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.29 -51.84 68.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.04 -172.6 17.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.596 ' SD ' HG11 ' A' ' 60' ' ' VAL . 37.4 mtp -120.13 154.33 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -133.95 121.34 21.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.4 t -63.58 168.7 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -104.05 -22.54 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -102.51 -37.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -114.52 -2.91 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 5.7 p-10 30.92 54.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.447 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.5 ttp -89.75 136.24 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.63 120.82 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -152.3 166.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.861 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.8 m80 -74.78 150.49 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.2 tmtt? -58.4 -27.04 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.708 ' O ' HG22 ' A' ' 61' ' ' ILE . 23.0 pt20 -93.42 -25.81 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.546 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 8.2 m -70.06 -30.14 67.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG11 ' SD ' ' A' ' 46' ' ' MET . 25.2 m -46.88 -38.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.5 tt -64.64 -30.37 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.557 ' OD1' HG23 ' A' ' 61' ' ' ILE . 1.6 m-20 -76.57 -43.48 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.64 129.59 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 128.69 16.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 p -37.78 -26.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -43.91 106.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t 56.31 41.93 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 110.811 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 m -143.69 140.21 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.67 62.38 0.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -123.46 102.11 7.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -172.51 159.12 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 136.51 3.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.24 63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 144.41 54.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.05 142.14 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -167.67 161.26 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.65 178.29 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 17.8 m-20 -110.94 91.68 13.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 53.8 Cg_endo -69.76 -16.94 37.79 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -72.89 -45.45 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p -62.26 -32.35 73.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -43.64 150.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 m-70 -85.15 138.29 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -97.75 39.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 28.5 m-85 -57.08 134.57 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -129.61 125.58 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.8 tp -59.59 116.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -145.08 163.05 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.1 p -95.42 159.11 15.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -121.98 156.33 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.28 -17.84 14.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -122.69 160.77 47.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.713 0.768 . . . . 0.0 110.786 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.25 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.75 156.09 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -116.58 136.66 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 39.0 t -47.6 159.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -101.19 -28.99 12.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -77.85 -71.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 p -79.84 -36.27 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.4 63.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LEU . 70.9 m -140.06 138.26 35.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -37.33 135.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -102.83 99.35 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -97.35 172.63 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 128.95 153.12 7.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -91.89 -50.05 5.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.51 129.69 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 22' ' ' ILE . 29.4 m170 65.95 45.61 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 26.4 mt-30 -56.02 -60.88 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.4 -160.42 8.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtp -128.49 148.65 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -134.8 127.38 30.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.6 t -67.51 165.55 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -105.0 -13.77 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.0 t -106.8 -43.73 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' ASP . 21.3 p -108.97 2.8 21.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.1 m-20 33.14 54.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.9 ttp -98.26 116.36 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -79.01 120.6 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -146.82 151.91 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.781 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.4 m80 -59.45 156.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.637 ' O ' HG22 ' A' ' 60' ' ' VAL . 27.7 tttt -62.51 -29.14 70.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -92.71 -10.69 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 m -87.75 -24.38 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 57' ' ' LYS . 3.5 m -57.24 -33.93 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 tt -71.09 -28.34 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -83.59 -37.56 22.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 59' ' ' CYS . 94.4 t -53.95 135.41 57.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.536 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.1 Cg_endo -69.73 119.98 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' PRO . 76.9 p -36.17 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.5 mm? -39.11 101.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 26.3 t -133.03 139.77 47.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 51.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 137.55 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -103.9 43.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -114.66 44.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.0 m -140.51 147.74 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -124.45 -15.29 6.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -84.75 146.3 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -154.09 114.69 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.4 -176.74 29.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.63 153.65 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 78' ' ' ILE . 5.2 mp -108.39 141.17 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -110.35 175.52 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.9 mt -145.13 153.41 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -114.66 167.37 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.09 174.64 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.49 175.24 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.4 p -154.1 150.71 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 46.84 41.78 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 t 39.11 43.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.44 139.0 29.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -161.12 174.94 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -145.32 149.42 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.15 -171.11 12.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 79.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.1 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -142.22 132.5 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -104.78 -175.01 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -104.15 165.23 11.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.39 66.2 4.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.581 0.705 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 0.73 5.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -66.9 -41.88 86.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -92.85 38.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.28 159.68 15.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 32.9 m-70 -99.35 140.94 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -110.15 34.46 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -46.65 109.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -109.79 127.4 54.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.644 HD13 ' HE2' ' A' ' 57' ' ' LYS . 7.1 tp -59.74 118.77 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -143.15 162.42 35.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.689 HG23 ' HA ' ' A' ' 42' ' ' ILE . 7.5 m -95.24 140.55 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.6 m-85 -106.48 113.41 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.1 -11.11 17.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.5 p -136.46 154.78 77.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.5 Cg_endo -69.75 98.2 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.9 158.46 15.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CE1' HD23 ' A' ' 37' ' ' LEU . 47.0 m-85 -107.84 130.85 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 48.7 t -47.57 156.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.72 -25.48 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -78.19 -71.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -79.77 -47.33 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.88 58.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LEU . 44.0 m -138.51 126.48 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tm? -35.53 132.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.669 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.7 mt -84.71 108.29 17.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.73 154.01 22.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.71 154.68 10.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -93.89 -45.68 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.689 ' HA ' HG23 ' A' ' 24' ' ' THR . 8.9 tt -123.7 142.95 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.8 m170 54.31 44.8 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -60.99 -54.35 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.529 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -140.56 -153.75 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtp -126.82 142.57 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -129.44 125.69 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.572 ' SG ' HG22 ' A' ' 50' ' ' THR . 10.0 t -65.66 165.45 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.32 -12.84 15.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.572 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.8 t -107.87 -37.58 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 14.1 p -114.57 -5.54 12.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 39.97 54.56 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 27.1 ttp -101.25 105.75 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' HG13 ' A' ' 55' ' ' VAL . 2.9 m-20 -63.2 129.39 40.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 54' ' ' ASN . 18.6 m -157.25 144.33 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 38' ' ' LEU . 52.1 m80 -56.96 163.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.644 ' HE2' HD13 ' A' ' 22' ' ' ILE . 25.1 mttm -66.92 -28.85 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.0 pt20 -92.47 -7.97 45.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.15 -31.84 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 57' ' ' LYS . 32.0 m -55.14 -37.1 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' GLN . 14.3 tt -67.68 -23.42 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -84.46 -37.3 21.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 64' ' ' PRO . 97.4 t -60.41 138.62 92.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.3 Cg_endo -69.8 137.59 35.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' PRO . 93.4 p -34.05 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 mt -47.84 144.85 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 50' ' ' THR . 4.5 t -137.13 156.87 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 71.6 37.33 61.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.22 168.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.77 46.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -95.58 -179.96 4.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -141.26 161.84 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.36 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.51 171.67 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -125.58 168.14 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -166.52 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -119.82 176.91 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 78' ' ' ILE . 4.3 mp -111.9 147.46 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.94 148.97 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -173.45 158.11 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -141.66 164.11 31.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.98 166.95 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -174.45 133.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.7 p -174.95 143.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 m -149.42 158.81 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -152.24 144.05 23.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 152.42 79.95 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 p -36.36 136.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -172.18 154.11 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.35 -166.94 39.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -129.25 102.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.2 Cg_endo -69.83 101.84 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.273 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -142.88 146.56 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 m -50.7 -41.9 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -170.5 121.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -118.36 94.59 47.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.838 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.76 -27.24 26.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.9 mmm-85 -71.49 -49.23 43.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -50.17 -22.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.0 mmtm -34.71 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -78.42 158.19 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.98 33.5 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -51.69 126.59 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.27 131.23 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 43' ' ' HIS . 6.7 tp -59.75 114.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.97 162.52 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -96.3 145.45 25.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -116.26 156.5 26.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.37 -8.1 33.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 m -133.65 159.02 74.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.79 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.297 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.551 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -94.32 156.64 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.796 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 44.5 m-85 -116.73 124.09 48.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -43.26 159.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -105.79 -29.96 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -75.06 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -83.81 -42.25 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.74 61.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -139.63 133.48 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.796 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -42.78 135.26 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 37' ' ' LEU . 82.0 mt -88.28 120.66 29.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -98.62 153.08 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.71 162.25 11.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.76 -45.8 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 tt -121.12 142.45 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.7 m170 52.41 41.34 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -54.98 -53.32 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -145.15 -150.67 5.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 mtp -131.7 153.11 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.33 129.41 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.7 t -63.66 165.4 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -99.48 -20.19 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -107.83 -49.51 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.558 ' N ' HG23 ' A' ' 50' ' ' THR . 3.9 p -95.99 -4.54 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.9 p30 32.61 54.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.1 ttp -95.29 116.12 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -68.63 124.78 24.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -153.36 155.37 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.571 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.5 m80 -66.63 162.22 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 60' ' ' VAL . 6.3 mtpm? -65.83 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.936 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.2 pt20 -92.08 -21.18 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 -26.07 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 56' ' ' HIS . 12.5 m -59.33 -22.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.936 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.6 tt -79.02 -21.61 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -98.96 -24.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.5 128.24 89.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.76 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' CYS . 80.0 p -37.39 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.1 mm? -40.27 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' SER . 48.8 t -131.85 162.12 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.0 58.15 5.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.4 mmt -110.91 43.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -62.84 -60.16 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -126.51 94.27 4.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -127.8 135.9 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -154.7 110.78 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.16 -30.39 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -169.74 143.12 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.87 135.29 51.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -156.83 146.76 20.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 78' ' ' ILE . 3.6 mp -130.31 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.14 90.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.82 88.19 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.2 mmtm -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 81' ' ' LYS . . . 33.98 43.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 84' ' ' VAL . 12.3 pt-20 -170.23 176.4 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.0 p -34.22 127.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -174.56 158.81 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -155.21 160.43 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -171.64 42.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -136.68 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 p -159.2 146.6 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 150.36 5.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.16 167.77 25.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . 53.2 Cg_endo -69.76 -45.04 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' PRO . 11.1 t70 35.39 46.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 12' ' ' ASP . 27.7 m -148.42 158.62 44.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' N ' HG22 ' A' ' 11' ' ' THR . 26.4 t0 -40.35 161.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.56 111.94 0.93 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.17 17.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -87.92 -39.79 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 67' ' ' CYS . 74.0 p -60.64 -33.68 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.88 149.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 32.1 m-70 -82.74 136.42 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -95.75 42.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.37 120.16 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 129.21 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 22' ' ' ILE . 6.7 tp -60.23 97.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -134.84 159.79 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.2 t -100.62 148.27 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -99.78 150.73 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.11 61.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.42 164.61 37.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.75 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -110.49 153.86 24.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 8.0 m-85 -116.27 127.27 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 t -45.53 157.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.8 -22.09 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -82.55 -62.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.16 -47.6 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 51.54 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -140.86 140.28 34.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.0 tp -54.52 145.56 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' NE2' ' A' ' 56' ' ' HIS . 12.5 mt -96.57 106.25 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.2 m-85 -90.02 158.83 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.29 146.38 6.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.71 -52.94 13.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -134.33 154.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.643 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.3 m170 55.98 36.55 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -56.75 -43.29 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -157.29 -140.94 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mtp -135.36 146.05 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -130.24 129.15 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 50' ' ' THR . 4.4 t -73.84 157.7 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -103.77 -0.42 29.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.505 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -117.97 -41.46 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.9 p -114.09 5.74 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' CYS . 14.9 m-20 32.64 52.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 ttp -99.35 109.81 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.28 128.38 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -151.17 160.62 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.588 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.7 m80 -70.56 150.83 45.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 60' ' ' VAL . 1.1 mmmp? -56.24 -30.25 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 61' ' ' ILE . 16.9 pt20 -91.45 -9.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.68 -18.3 29.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.6 m -72.2 -24.59 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -70.11 -22.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.38 -45.75 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.2 139.64 34.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 124.66 11.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' PRO . 47.1 p -33.19 -59.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -36.97 155.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.782 ' N ' HD12 ' A' ' 66' ' ' LEU . 10.9 t -156.13 161.84 40.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.476 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 84.48 65.68 1.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 mmt -99.73 -33.05 10.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.41 160.71 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 70.1 m80 56.78 51.48 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.0 m -77.8 136.18 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -61.62 110.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -41.1 128.23 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -133.31 162.18 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.89 103.51 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -174.91 150.38 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 78' ' ' ILE . 4.7 mp -128.12 140.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -88.02 129.82 35.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -83.68 144.17 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -104.49 128.25 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.59 165.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -138.19 178.17 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.04 150.21 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -157.11 144.37 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -67.6 -59.2 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.47 -111.82 1.02 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -110.91 -49.17 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.812 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 61.07 41.84 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.55 -141.74 8.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.31 -81.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 152.97 69.45 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.37 111.72 16.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -107.52 86.92 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.77 -23.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -134.58 67.97 71.9 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.92 29.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.79 -38.91 86.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 65' ' ' SER . 59.7 p -94.77 -23.0 17.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -50.17 149.29 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -90.94 133.23 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.9 34.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -51.12 117.64 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -117.24 126.29 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 43' ' ' HIS . 10.0 tp -60.66 110.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -144.41 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.4 p -87.73 159.37 18.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -119.49 126.69 51.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -21.09 60.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -137.61 163.02 51.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.7 101.38 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.643 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 149.61 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -100.63 129.3 46.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 44.5 t -50.96 159.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -104.64 -32.43 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -66.93 -65.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.36 -45.91 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.15 57.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -135.44 134.85 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.731 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.9 tm? -42.71 126.77 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.6 mt -79.41 112.36 16.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' ' 37' ' ' LEU . 26.2 m-85 -94.25 174.22 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.28 152.72 24.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.94 -50.49 6.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 43' ' ' HIS . 16.5 tt -117.89 153.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.838 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.2 m170 47.18 44.29 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 42' ' ' ILE . 2.5 mp0 -60.94 -55.85 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.01 -163.07 9.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 mtp -131.91 145.09 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -126.09 139.12 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.611 ' SG ' HG22 ' A' ' 50' ' ' THR . 14.9 t -76.32 165.7 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.97 -0.03 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.611 HG22 ' SG ' ' A' ' 48' ' ' CYS . 3.4 t -127.57 -37.18 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -114.3 -1.46 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' CYS . 8.2 m-20 32.19 54.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.7 ttp -90.68 125.96 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG21 ' A' ' 29' ' ' THR . 4.8 m120 -80.33 115.45 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.39 154.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.666 ' CD2' HD23 ' A' ' 38' ' ' LEU . 69.3 m80 -67.64 157.61 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.604 ' O ' HG22 ' A' ' 60' ' ' VAL . 33.4 tttt -60.42 -31.94 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.5 pp0? -92.67 -9.06 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.72 -21.68 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.8 m -65.82 -31.06 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.4 tt -67.78 -22.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -93.79 -33.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.67 131.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 151.0 69.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 m -85.25 21.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' O ' ' CE ' ' A' ' 69' ' ' MET . 1.8 mm? -87.87 28.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 50' ' ' THR . 49.2 t -41.13 162.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 41.38 3.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CE ' ' O ' ' A' ' 66' ' ' LEU . 4.6 mtt -115.88 39.15 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -83.09 84.84 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -136.49 105.56 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.4 m -125.33 127.15 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -96.47 47.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -101.7 46.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.85 70.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.19 122.52 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -160.78 141.84 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.906 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 78' ' ' ILE . 4.3 mp -133.07 135.7 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -139.28 153.86 47.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.08 151.38 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ALA . 20.5 mmmt -120.36 -75.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' LYS . . . -33.88 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -133.13 44.12 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 84' ' ' VAL . 6.6 p -117.98 -15.79 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -77.86 -56.3 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -151.02 165.85 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.87 -147.16 12.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -136.19 167.87 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -136.42 148.08 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.03 -160.53 8.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.64 142.25 9.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -167.19 175.3 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.2 p -102.5 103.8 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 38.9 t0 -146.85 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -112.79 64.29 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 12' ' ' ASP . 53.7 Cg_endo -69.79 -7.47 21.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -36.08 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -87.12 24.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.17 160.03 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 26.5 m-70 -95.85 142.4 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -108.08 40.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -56.05 139.21 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -142.34 133.77 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 22' ' ' ILE . 11.0 tp -64.97 114.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -142.88 161.63 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -91.29 138.34 31.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.53 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.05 37.29 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -172.17 153.01 2.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.39 3.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 38' ' ' LEU . 5.5 t -121.18 150.62 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.3 m-85 -110.63 122.57 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.2 t -41.3 155.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -101.44 -27.92 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 43.4 t60 -75.61 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.66 -43.19 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.02 63.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.1 m -143.73 134.32 24.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.4 tm? -46.61 125.25 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.665 HD23 ' NE2' ' A' ' 56' ' ' HIS . 85.6 mt -86.28 111.17 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 37' ' ' LEU . 58.2 m-85 -95.01 172.82 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.94 147.97 8.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -49.9 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.11 139.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.89 46.13 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 10.6 mp0 -61.39 -61.31 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.92 -161.32 8.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.9 mtp -119.36 143.36 47.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -127.48 132.63 49.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 50' ' ' THR . 6.3 t -72.98 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.0 -11.84 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 48' ' ' CYS . 9.8 t -112.47 -30.95 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' ASP . 8.3 p -120.47 -2.48 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.6 p-10 34.46 53.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.1 ttp -97.48 116.77 30.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG13 ' A' ' 55' ' ' VAL . 1.9 m120 -74.14 134.34 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 54' ' ' ASN . 20.1 m -159.98 162.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.665 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.9 m80 -74.38 153.47 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -58.82 -29.16 66.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' ILE . 17.4 pt20 -92.04 -8.08 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.62 -37.92 17.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 57' ' ' LYS . 16.0 m -50.77 -24.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.0 tt -74.2 -29.33 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.426 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 54.5 m-80 -81.85 -38.08 25.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.613 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -49.34 137.38 15.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.613 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.79 140.91 43.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -40.12 -33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 47.8 mt -59.55 158.48 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 13.3 t -155.98 162.03 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.472 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 62.87 52.38 48.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -91.8 29.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -98.58 -53.04 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -73.92 93.58 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.33 139.86 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -170.88 158.26 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 51.33 53.88 12.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -57.11 -55.65 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 151.88 5.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -150.36 142.43 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.95 139.24 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -83.13 178.22 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.59 136.13 51.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -123.78 164.97 18.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.78 172.42 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.04 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -116.46 157.3 25.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.4 t -140.79 135.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -112.05 42.57 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -151.74 162.08 41.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 169.12 38.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -144.26 168.9 18.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -126.1 176.45 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.69 126.63 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.37 70.1 0.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.04 22.54 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -101.0 136.74 40.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -98.94 -36.75 9.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.56 108.8 21.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -86.42 133.01 41.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -16.93 37.99 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -64.44 -39.37 93.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 p -73.57 -43.65 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -38.04 142.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -84.84 140.27 31.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -98.88 36.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD2' HG12 ' A' ' 60' ' ' VAL . 25.6 m-85 -55.15 122.26 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 120.86 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.576 HD13 ' CE ' ' A' ' 57' ' ' LYS . 9.4 tp -58.32 122.77 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 36.7 t60 -143.06 162.87 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 m -86.14 131.95 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 7.3 m-85 -107.71 150.76 26.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.41 7.09 12.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.2 p -134.25 161.09 65.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 54.3 Cg_endo -69.73 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.482 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -100.7 159.44 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -132.26 136.56 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.5 t -56.44 128.05 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -73.96 -19.88 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -81.93 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.76 -58.85 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.74 22.7 3.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.0 m -113.35 148.49 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 29' ' ' THR . 7.0 tp -57.68 152.24 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD12 ' HB ' ' A' ' 29' ' ' THR . 33.6 mt -100.44 98.97 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -174.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.83 155.05 29.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -95.18 -47.05 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -126.66 136.01 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CG ' HD13 ' A' ' 42' ' ' ILE . 0.6 OUTLIER 62.1 52.02 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -64.66 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.32 -174.38 13.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.727 ' SD ' HG21 ' A' ' 60' ' ' VAL . 7.1 mtp -105.26 138.59 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -119.33 123.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.55 162.53 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -106.13 -9.38 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -111.32 -43.03 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.4 p -109.65 2.41 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.9 m-20 33.99 53.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ttp -100.51 122.81 43.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.0 129.26 34.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.411 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 m -150.74 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 42.9 m80 -76.88 148.03 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' CE ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -52.89 -35.28 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 61' ' ' ILE . 26.8 pt20 -86.8 -7.55 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 m -89.21 -39.21 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.727 HG21 ' SD ' ' A' ' 46' ' ' MET . 2.8 m -48.31 -34.58 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -74.12 -25.67 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -87.99 -32.35 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 64' ' ' PRO . 95.4 t -58.96 133.54 87.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 127.93 15.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' CYS . 4.5 t -37.88 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -38.63 95.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' SER . 34.0 t -135.56 151.66 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.9 63.18 1.77 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.8 ptp -161.91 170.03 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.4 156.6 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.63 153.24 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 m -121.91 148.63 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.19 116.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.78 -41.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -53.76 115.65 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.36 68.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -153.61 154.16 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.29 131.86 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -125.09 121.5 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.7 tp -141.85 110.43 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.497 ' HE3' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -104.53 14.86 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.497 ' N ' ' HE3' ' A' ' 81' ' ' LYS . . . -95.51 138.24 33.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -168.58 114.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.4 p -174.91 150.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -163.01 128.46 3.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -125.58 166.27 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.76 66.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -73.69 83.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -105.27 -60.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.95 -177.45 50.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -137.16 97.37 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 54.3 Cg_endo -69.72 91.09 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.81 138.44 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 p -117.47 128.57 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -122.04 40.69 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.508 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 3.2 m-20 56.66 50.09 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.76 -15.86 37.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -69.51 -40.66 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -84.15 -29.17 26.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -42.97 163.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 24.4 m-70 -97.58 137.23 36.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.63 37.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 19.4 m-85 -57.34 119.19 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -116.82 119.59 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.616 HG23 ' O ' ' A' ' 22' ' ' ILE . 8.6 tp -60.72 114.03 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -143.32 159.7 41.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -88.79 155.15 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -120.9 148.91 43.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.58 -1.73 53.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 1.7 m -137.17 155.53 75.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.698 0.761 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.8 Cg_endo -69.78 98.04 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 158.38 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 37' ' ' LEU . 61.3 m-85 -111.51 124.05 51.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.3 t -45.57 160.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -105.6 -38.0 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -71.11 -68.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 p -85.72 -35.53 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.0 -34.43 5.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 m -40.39 150.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 29' ' ' THR . 6.4 tp -73.43 151.86 40.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 29' ' ' THR . 17.5 mt -92.52 108.35 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -114.34 163.92 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.2 163.59 11.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 tt -93.59 -43.3 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 43' ' ' HIS . 3.0 tp -128.56 140.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' ILE . 12.3 m-70 57.8 40.03 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -47.87 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -144.19 -174.6 16.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.497 ' SD ' HG11 ' A' ' 60' ' ' VAL . 11.7 mtp -115.62 145.44 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.55 127.49 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 t -71.23 166.26 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -108.98 -20.69 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 -36.32 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 10.4 p -113.82 -6.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 47' ' ' LYS . 4.0 t70 41.3 54.4 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.2 ttp -101.72 132.48 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -89.62 130.35 35.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 54' ' ' ASN . 21.8 m -156.91 142.74 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 73.3 m80 -60.3 161.98 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.2 mttt -61.83 -31.71 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.818 ' O ' HG22 ' A' ' 61' ' ' ILE . 27.9 pt20 -91.45 -8.12 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.77 -25.56 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.7 m -68.31 -26.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.818 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.5 tt -66.36 -23.9 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.91 -43.1 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.63 HG13 ' HD2' ' A' ' 64' ' ' PRO . 58.5 t -53.43 138.18 49.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.75 164.89 32.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -81.61 38.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 27.8 mt -124.99 141.26 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.9 t -152.72 158.89 42.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.39 65.36 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.4 mmt -112.23 123.28 49.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.737 0.303 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -121.7 84.7 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -117.35 -53.78 2.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 m -48.47 126.7 11.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.12 53.71 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -85.71 46.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -121.63 136.86 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 77' ' ' ARG . . . 110.03 -111.88 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.516 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 76' ' ' GLY . 21.7 tpp180 -34.9 143.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.55 142.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -114.69 133.92 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp -97.93 147.73 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.5 170.01 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.73 176.69 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.79 159.98 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.83 130.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -155.92 130.17 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -104.49 -46.16 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.94 -161.23 6.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 t 65.6 43.18 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -96.94 112.24 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.792 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.03 160.13 22.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.26 114.2 1.09 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.51 100.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.5 p -137.28 116.46 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -115.76 150.16 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 7.3 m-20 51.42 52.18 11.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.77 -17.97 37.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -67.33 -41.02 85.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m -76.32 -36.91 58.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -39.8 158.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.441 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 30.1 m-70 -81.65 164.66 21.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -124.83 32.02 5.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 27.3 m-85 -52.11 138.8 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -126.0 122.41 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.691 HD13 ' HG3' ' A' ' 57' ' ' LYS . 9.6 tp -60.16 110.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 24' ' ' THR . 66.4 t-80 -143.9 162.95 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 42' ' ' ILE . 24.1 p -88.65 156.91 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.54 129.88 53.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.55 -9.61 83.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -129.62 154.91 80.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 97.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.695 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -96.89 158.84 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -111.65 137.75 49.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.68 159.49 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -105.72 -36.28 7.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -71.57 -68.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.89 -36.1 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.25 -30.8 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -47.65 148.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.75 151.88 46.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 ' HB ' ' A' ' 29' ' ' THR . 15.6 mt -94.72 109.82 21.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.77 162.83 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.11 149.57 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.28 -51.53 10.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.457 ' HA ' HG22 ' A' ' 24' ' ' THR . 18.5 tt -131.97 139.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 63.66 45.38 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.56 -74.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.3 -170.78 13.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.495 ' HE2' ' N ' ' A' ' 22' ' ' ILE . 19.6 mtp -124.88 152.86 43.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -133.35 130.2 38.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 6.3 t -70.78 167.14 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.79 -17.68 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 51' ' ' CYS . 3.2 t -108.75 -47.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.3 p -102.51 -2.03 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 7.3 p-10 32.12 54.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.9 ttp -89.72 123.12 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -84.13 109.07 17.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 HG12 ' A' ' 60' ' ' VAL . 27.6 m -135.97 146.61 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.537 ' CD2' HD23 ' A' ' 38' ' ' LEU . 39.9 m80 -55.33 137.63 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HG3' HD13 ' A' ' 22' ' ' ILE . 9.8 tmtt? -47.22 -25.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.92 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.2 pt20 -92.96 -32.68 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.12 -31.04 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.418 HG11 ' SD ' ' A' ' 46' ' ' MET . 4.3 m -53.78 -25.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 58' ' ' GLN . 2.3 tp -63.52 -30.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.489 ' OD1' HG23 ' A' ' 61' ' ' ILE . 15.9 m120 -96.94 -39.02 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -38.05 130.72 0.97 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.2 p -41.75 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -47.29 133.18 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 20.1 t -159.39 152.63 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.13 42.88 4.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.8 ptp -149.69 115.17 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.34 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -117.85 178.74 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 m -72.97 136.77 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -77.12 131.61 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 45.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -103.37 -39.62 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.6 -174.26 15.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.95 142.79 27.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.3 mm -136.19 142.73 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -90.72 -174.59 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 32.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.83 90.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.94 174.64 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . 17.1 mt-10 -164.55 173.34 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 84' ' ' VAL . 14.9 p 41.61 35.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.057 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -107.29 -48.14 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.885 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m 65.89 42.36 3.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.12 96.62 1.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -132.03 129.16 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -58.78 171.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.26 -155.74 6.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.2 66.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 173.44 10.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -98.36 139.44 34.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -121.4 111.36 17.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -108.4 -65.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -119.23 116.17 33.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 54.2 Cg_endo -69.73 -10.25 28.13 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.379 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -81.26 -34.48 32.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -93.01 29.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 14' ' ' PRO . 35.0 mmtt -76.04 163.38 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 61.0 m-70 -106.24 132.02 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -98.17 40.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 33.2 m-85 -53.91 138.42 36.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -138.58 131.45 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.791 HD13 ' HE2' ' A' ' 57' ' ' LYS . 8.4 tp -59.24 108.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 47' ' ' LYS . 1.5 p80 -137.51 161.65 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 p -91.02 155.27 18.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.3 m-85 -117.28 112.51 20.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.26 -11.58 20.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -137.96 155.62 74.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 99.43 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.01 159.36 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m-85 -110.5 126.6 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 38.5 t -42.9 157.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -106.88 -22.81 12.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -79.78 -60.37 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.62 -40.9 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.68 62.88 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -140.77 131.25 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tm? -39.42 124.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' NE2' ' A' ' 56' ' ' HIS . 16.2 mt -80.13 118.1 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 50.1 m-85 -103.36 155.02 18.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.64 153.63 8.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.87 -46.74 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.87 142.14 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.712 ' HB3' HD11 ' A' ' 22' ' ' ILE . 32.0 m170 43.34 54.31 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -61.36 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -135.45 -153.29 6.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.431 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.692 ' SD ' HG11 ' A' ' 60' ' ' VAL . 19.1 mtp -127.43 146.16 50.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 13.9 ttmm -133.26 128.52 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 165.34 9.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -102.23 -11.38 18.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.7 t -112.09 -49.14 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 19.9 p -100.59 -1.33 35.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 68.5 m-20 34.31 54.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 25.3 ttp -90.86 119.24 30.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 54' ' ' ASN . 1.2 p30 -77.31 118.65 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -144.78 170.47 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.781 ' NE2' HD23 ' A' ' 38' ' ' LEU . 38.3 m80 -81.6 160.75 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HE2' HD13 ' A' ' 22' ' ' ILE . 6.8 tptp -61.95 -36.23 80.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.803 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.5 pm0 -88.36 -10.54 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.8 m -83.23 -30.25 27.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.5 m -58.67 -24.61 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' GLN . 12.0 tt -81.05 -20.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -95.09 -25.01 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 59' ' ' CYS . 61.5 t -60.97 133.49 92.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.666 0.746 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.79 166.89 26.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -82.75 37.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -103.43 86.66 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 47.8 t -124.15 147.52 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.9 54.57 2.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.9 mmt -99.98 174.93 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -67.45 170.0 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -75.98 145.7 40.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.9 m -124.1 139.44 53.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 58.84 42.32 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -74.97 132.74 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -68.16 96.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.14 -63.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 15.2 tpt180 -92.37 148.1 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 33.5 mt -135.95 144.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -121.13 99.77 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.34 107.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -141.76 116.8 9.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' C ' ' CD ' ' A' ' 83' ' ' GLU . . . -137.81 158.51 44.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' CD ' ' C ' ' A' ' 82' ' ' ALA . 23.1 mp0 -154.79 124.84 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.65 113.5 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 t -168.53 157.05 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -169.92 176.67 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.01 156.01 25.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 p -170.5 128.45 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -155.94 143.07 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.72 61.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.54 63.37 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 150.13 68.24 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -169.48 143.28 2.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.4 p -143.63 149.26 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -39.67 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -109.53 86.24 4.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 2.19 3.7 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.88 -32.91 46.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -76.21 -39.39 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -40.72 158.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 66' ' ' LEU . 18.7 m-70 -95.44 148.86 22.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -102.8 22.02 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -41.42 123.73 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.48 129.8 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 22' ' ' ILE . 6.8 tp -64.26 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -145.79 144.2 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 7.4 t -88.42 149.85 23.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.8 m-85 -100.78 149.03 24.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.38 -4.7 64.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -132.33 157.76 77.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 101.0 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.415 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -105.21 154.03 20.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 50.6 m-85 -107.4 120.72 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -41.05 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.86 -27.04 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -81.24 -73.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.4 p -72.34 -46.75 54.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.12 31.36 5.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -114.96 137.02 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 3.6 tp -50.49 150.06 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD12 ' HB ' ' A' ' 29' ' ' THR . 9.3 mt -102.33 124.75 48.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -115.77 160.95 19.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.5 160.2 10.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -46.38 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' CG ' ' A' ' 43' ' ' HIS . 10.4 tp -128.42 153.57 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.552 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.7 m80 44.2 49.99 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.19 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.1 -151.04 6.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.459 ' HG3' HG11 ' A' ' 60' ' ' VAL . 29.3 mmm -135.51 132.66 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -119.53 122.72 42.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.621 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.5 t -64.26 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -107.21 -4.32 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.621 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.5 t -119.03 -37.79 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -116.33 0.3 12.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER 33.08 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.0 ttp -94.86 113.08 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -74.38 125.51 28.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -154.68 138.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.404 ' NE2' HD23 ' A' ' 38' ' ' LEU . 68.6 m80 -43.31 153.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -29.2 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.819 ' O ' HG22 ' A' ' 61' ' ' ILE . 15.5 pm0 -92.68 -16.0 26.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.46 -31.16 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 46' ' ' MET . 10.7 m -53.67 -22.91 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.819 HG22 ' O ' ' A' ' 58' ' ' GLN . 6.8 tt -72.54 -25.74 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -86.46 -39.77 15.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 64' ' ' PRO . 62.1 t -52.98 137.88 45.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.731 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.73 129.76 18.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' PRO . 64.1 m -33.71 -37.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 24.9 mt -53.61 163.21 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 12.8 t -154.86 159.6 40.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 63.64 38.76 96.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.8 tpp -55.28 -30.03 59.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.3 168.73 11.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -81.48 145.97 30.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -121.77 140.36 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -91.07 -59.88 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -46.98 -40.16 13.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' N ' ' HD2' ' A' ' 74' ' ' LYS . 59.9 ttt180 32.54 45.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.07 -168.05 39.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 19.4 tpt85 -171.85 144.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mm -110.36 135.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -115.43 176.63 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -141.35 136.53 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -114.98 127.99 56.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.12 148.0 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -120.55 124.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.0 140.33 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -160.44 177.32 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -131.26 176.63 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 150.43 9.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -111.96 174.74 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -118.5 -58.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -158.41 31.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 9' ' ' PRO . . . -159.78 -139.89 2.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 8' ' ' GLY . 53.8 Cg_endo -69.74 137.1 34.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -122.78 -45.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 t -111.57 127.66 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.94 171.35 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -165.05 123.92 1.19 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -16.84 38.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.2 mmt-85 -71.99 -48.98 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 52.0 p -84.99 -20.41 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -46.23 147.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 24.7 m-70 -78.16 172.08 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -133.9 43.22 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.3 140.47 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 124.46 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 22' ' ' ILE . 9.6 tp -57.53 107.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -140.78 161.11 38.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -98.31 144.68 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -104.99 161.82 13.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.58 -13.15 24.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.3 p -131.77 160.43 67.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.653 0.74 . . . . 0.0 110.836 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 53.7 Cg_endo -69.73 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.535 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -101.02 156.41 17.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' A' ' 37' ' ' LEU . 56.1 m-85 -110.17 134.97 51.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.17 155.31 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.92 -32.05 9.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.18 -68.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -84.6 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.63 6.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -111.32 141.1 45.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 30' ' ' PHE . 5.2 tp -52.84 150.23 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.535 HD12 ' HB ' ' A' ' 29' ' ' THR . 44.2 mt -98.27 93.46 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 164.48 14.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 41' ' ' LEU . . . 134.06 161.49 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.677 ' N ' HD22 ' A' ' 41' ' ' LEU . 1.2 mm? -99.82 -45.99 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.76 129.22 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CG ' HD13 ' A' ' 42' ' ' ILE . 42.7 m170 58.92 54.36 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -55.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.58 -160.78 10.13 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 mtp -113.67 153.79 28.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -134.77 132.0 38.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.4 t -78.22 165.15 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -107.95 -8.46 15.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.493 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -113.66 -42.29 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -109.59 7.58 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 p-10 33.06 42.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 3.4 ttm -77.68 149.59 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 53' ' ' MET . 0.6 OUTLIER -118.51 107.03 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 60' ' ' VAL . 15.4 m -134.94 170.39 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -80.23 162.38 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' O ' HG22 ' A' ' 60' ' ' VAL . 39.1 tttm -58.82 -35.74 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.465 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.9 pt20 -88.96 -6.4 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.95 -38.17 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 57' ' ' LYS . 15.7 m -55.31 -40.81 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.44 -34.59 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -80.08 -44.85 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.0 t -42.45 140.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.69 118.36 5.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 64' ' ' PRO . 6.9 t -30.4 -51.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -46.76 152.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.5 t -163.78 149.32 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' SD ' ' A' ' 69' ' ' MET . . . 123.23 62.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -175.09 136.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -173.72 129.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -42.34 -64.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.5 m -97.63 141.58 30.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -111.92 -26.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -155.88 161.1 40.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -111.77 135.45 52.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.16 179.29 39.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -99.44 120.47 39.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 80' ' ' LEU . 5.2 mp -102.3 134.67 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' LEU . 81.3 m-85 -104.14 44.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' H ' HG22 ' A' ' 78' ' ' ILE . 21.3 tp 37.33 43.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.65 100.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.26 170.0 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -141.2 178.29 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.548 ' O ' HG22 ' A' ' 84' ' ' VAL . 9.3 p 37.4 35.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -133.76 167.53 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -64.62 -49.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.28 -139.5 6.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -127.42 -44.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t 38.78 41.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.823 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 101.11 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.85 151.61 17.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.46 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.26 59.88 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.301 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -52.47 141.43 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.682 HG23 ' O ' ' A' ' 11' ' ' THR . 10.3 t -88.76 85.1 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -101.93 -15.45 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 6.1 m-20 61.11 54.02 3.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 54.0 Cg_endo -69.83 0.84 5.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -68.34 -40.74 81.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 58.8 m -97.28 -35.16 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' SER . 58.6 mmtt -36.91 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -88.91 160.31 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -114.15 23.48 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 26.0 m-85 -43.09 135.68 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 122.73 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 43' ' ' HIS . 9.3 tp -59.13 120.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 2.1 m-70 -144.23 158.51 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 m -93.17 131.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 5.6 m-85 -113.83 149.01 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.21 15.87 58.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -143.76 158.53 56.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.6 Cg_endo -69.75 97.58 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.858 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -86.89 138.5 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -104.93 128.5 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.01 159.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -107.21 -31.34 8.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -77.09 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -79.86 -33.97 39.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.69 -28.32 16.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 m -52.99 152.29 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 38' ' ' LEU . 5.3 tp -70.64 153.13 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.858 HD12 ' HB ' ' A' ' 29' ' ' THR . 37.3 mt -94.44 91.22 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -72.15 179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 81.63 77.85 1.01 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.0 mp -30.3 -49.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.6 125.37 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.2 m80 56.89 43.92 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 40' ' ' GLY . 30.3 mt-30 -47.95 -60.65 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -146.51 -150.86 5.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.928 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.6 mtp -128.6 155.88 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -136.87 130.12 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 7.3 t -71.58 165.29 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -104.9 -17.76 14.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -105.39 -39.97 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 11.2 p -112.7 -2.42 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 1.3 m-20 33.92 54.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.2 ttp -95.79 116.61 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 23.9 m-80 -71.21 130.43 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 34.4 m -159.78 144.36 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.598 ' HA ' HD22 ' A' ' 38' ' ' LEU . 48.5 m80 -46.97 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 60' ' ' VAL . 46.9 tttm -78.01 -33.64 51.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -89.38 -33.13 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.9 m -57.29 -19.54 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.928 HG11 ' SD ' ' A' ' 46' ' ' MET . 18.1 m -62.75 -20.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.2 tt -80.93 -22.09 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -102.56 -26.32 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 59' ' ' CYS . 10.1 t -49.71 131.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 67' ' ' CYS . 39.8 m -39.07 -27.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' CD2' ' H ' ' A' ' 66' ' ' LEU . 3.1 mm? -38.64 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 50' ' ' THR . 31.9 t -131.76 164.91 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.7 53.82 29.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mmt -104.92 139.12 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -120.04 172.64 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -71.52 173.82 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.8 m -89.58 146.15 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 43.89 50.01 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -91.61 92.92 8.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 62.84 39.95 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.13 -163.48 31.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' O ' HD13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -172.15 147.3 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 77' ' ' ARG . 35.2 mm -135.04 34.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -79.68 13.55 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.14 158.59 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' HD3' ' C ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -49.83 174.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.78 96.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -147.45 135.43 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 84' ' ' VAL . 30.1 m -73.49 122.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -158.5 147.71 19.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t 41.16 47.45 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.6 -163.3 14.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -149.84 121.82 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -49.61 179.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.94 91.99 0.16 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.57 124.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 178.2 4.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.29 159.79 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -124.68 -45.48 1.91 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -88.09 158.89 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.64 108.37 37.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 54.3 Cg_endo -69.71 -1.79 9.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -74.34 -43.79 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' CYS . 59.3 p -93.42 -27.68 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 14' ' ' PRO . 3.1 mmmp? -44.47 151.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 26.4 m-70 -81.15 150.29 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -112.99 35.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 24.3 m-85 -52.3 146.85 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -145.43 131.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.589 HG23 ' O ' ' A' ' 22' ' ' ILE . 6.6 tp -61.5 100.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -140.27 149.61 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -87.34 147.11 25.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -99.18 151.04 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.5 -13.08 80.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -141.65 163.37 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.1 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -98.0 158.99 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.933 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 23.4 m-85 -111.88 126.51 55.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 29.6 t -43.56 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -109.06 -20.93 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 16.2 t60 -84.98 -67.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.66 -44.94 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.05 62.09 1.02 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -139.91 144.27 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -57.3 127.84 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 37' ' ' LEU . 14.6 mt -78.53 125.15 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.54 168.85 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.32 150.81 13.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.45 -50.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.0 tt -133.59 154.2 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' HB3' HD11 ' A' ' 22' ' ' ILE . 9.3 m-70 56.85 36.28 27.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -54.13 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.571 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -133.0 -138.47 4.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 mtp -136.73 144.02 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -127.37 130.22 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.9 t -73.82 165.49 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -105.23 -16.09 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.42 HG22 ' SG ' ' A' ' 48' ' ' CYS . 1.9 t -106.47 -43.42 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.6 p -106.73 4.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' CYS . 16.7 m-20 29.53 52.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 ttp -93.83 133.42 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.728 ' ND2' HG21 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.02 113.05 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.81 155.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.65 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.9 m80 -69.68 156.23 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -60.88 -29.27 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -7.39 47.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 m -91.96 -17.91 24.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.1 m -67.34 -29.95 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.02 -25.23 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 26.1 m-80 -86.45 -43.27 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -47.17 138.7 7.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.175 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 130.38 19.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.377 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.0 m -34.81 -66.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD12 ' HE3' ' A' ' 69' ' ' MET . 3.4 pp -42.22 157.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 3.9 t -159.42 161.96 35.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 92.7 66.49 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.415 ' HE3' HD12 ' A' ' 66' ' ' LEU . 6.1 ptp -134.77 -38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 62.31 48.52 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.9 m80 55.8 46.81 21.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.1 t -42.79 144.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -145.74 161.1 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -42.91 118.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -156.58 121.06 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.86 -177.55 48.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -83.62 154.36 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.56 133.66 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.03 122.3 4.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.35 90.2 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 6.1 tptm -137.4 166.12 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' LYS . . . 68.37 41.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.0 164.26 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -137.47 107.96 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -107.04 -51.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.2 13.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -165.49 147.83 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -164.91 175.55 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.6 147.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.12 105.23 0.2 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -177.77 2.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.79 140.07 49.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m -160.39 126.31 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.44 152.3 19.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 6.7 m-20 51.31 52.5 12.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 54.2 Cg_endo -69.75 -0.59 7.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HD2' ' CE2' ' A' ' 79' ' ' TYR . 31.5 mtm180 -77.86 -30.63 51.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 5.2 m -74.81 -31.38 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 6.6 mtmp? -35.18 152.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 43.1 m-70 -83.27 133.88 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -86.73 35.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 17.9 m-85 -53.95 134.49 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.69 135.17 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 43' ' ' HIS . 8.6 tp -57.24 110.2 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -138.23 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -92.36 132.92 36.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 38' ' ' LEU . 91.1 m-85 -88.15 128.91 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.33 -16.12 80.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -144.54 156.58 56.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.636 2.224 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.529 ' CG2' HD12 ' A' ' 38' ' ' LEU . 2.2 t -113.52 157.64 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -97.6 121.65 39.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -41.85 156.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -99.91 -35.89 9.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -72.6 -72.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -80.56 -35.36 34.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.85 -29.84 10.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.5 m -49.18 149.56 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.862 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.8 tp -72.79 150.93 42.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 56' ' ' HIS . 77.0 mt -95.02 106.8 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.862 ' CE2' HD23 ' A' ' 37' ' ' LEU . 16.0 m-85 -99.73 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 161.01 11.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.08 -42.68 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.503 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.4 tt -138.86 143.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.757 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.0 m170 52.52 52.05 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -69.12 -57.23 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -137.16 -145.72 5.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 60' ' ' VAL . 21.6 mtp -134.76 154.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 115.91 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.1 t -55.22 168.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.55 -28.83 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 t -94.94 -39.75 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 5.9 p -109.6 -7.93 15.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.4 p30 38.47 54.97 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.449 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 33.3 ttp -91.96 138.75 31.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.47 117.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.411 HG11 ' CE ' ' A' ' 53' ' ' MET . 35.6 m -147.83 151.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.71 ' CD2' HD23 ' A' ' 38' ' ' LEU . 76.9 m80 -62.34 152.97 32.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.7 mmmt -57.21 -28.15 62.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.453 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -90.21 -35.9 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.0 -31.22 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 46' ' ' MET . 6.3 m -53.88 -29.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 58' ' ' GLN . 7.2 tt -66.37 -31.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -79.34 -43.83 22.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.512 HG13 ' HD2' ' A' ' 64' ' ' PRO . 46.8 t -48.15 136.01 11.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -68.54 70.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -166.69 153.44 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.8 t -157.88 175.7 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.88 58.78 2.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.43 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 20.1 mmt -87.33 42.82 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.1 t0 66.13 43.59 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -109.84 -55.93 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 t -43.29 142.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -92.46 150.05 21.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ARG . 6.4 tmtt? 63.85 48.24 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 49.5 mtm-85 -34.79 139.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.85 113.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -123.84 167.41 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.478 ' N ' HD12 ' A' ' 78' ' ' ILE . 4.7 mp -124.38 134.74 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 15' ' ' ARG . 30.4 m-85 -152.14 144.47 24.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.1 tp -159.01 126.11 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -148.08 145.05 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.99 145.48 46.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -138.8 140.02 38.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.81 148.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 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 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' SER . 13.3 m -84.69 -60.5 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' SER . 86.4 p 34.87 42.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.98 148.11 17.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -121.8 150.9 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -79.28 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.69 -155.94 22.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -140.45 108.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.5 Cg_endo -69.79 134.83 28.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -52.5 151.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -86.19 39.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.85 157.3 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t70 -104.14 97.19 10.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 53.5 Cg_endo -69.78 -1.05 7.82 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -90.69 -33.8 15.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' CYS . 54.2 p -72.45 -17.69 61.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -50.74 154.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 24.1 m-70 -88.67 138.16 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -105.41 70.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 44.8 m-85 -85.45 138.39 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.62 132.13 38.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.919 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.0 tp -60.37 114.75 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.13 163.12 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 m -102.98 142.93 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 3.7 m-85 -108.75 132.07 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.8 -2.96 83.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 p -133.03 156.25 80.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.5 Cg_endo -69.71 101.1 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.464 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.47 159.37 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.98 127.53 53.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 17.2 t -49.02 158.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -107.58 -23.02 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -81.37 -63.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.89 -47.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.58 30.61 4.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -115.25 143.2 45.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 28' ' ' PRO . 4.9 tp -52.38 150.74 4.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.774 HD23 ' NE2' ' A' ' 56' ' ' HIS . 72.3 mt -100.77 85.04 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.21 172.51 12.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.72 140.63 6.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.86 -54.8 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.421 HG12 ' CG ' ' A' ' 43' ' ' HIS . 17.9 tt -125.4 149.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.919 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.6 m80 48.48 51.27 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 29.9 mt-30 -61.61 -58.63 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.09 -161.12 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtp -118.76 141.03 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -123.07 133.79 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -69.41 165.43 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.35 -15.87 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.2 t -110.03 -48.63 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.517 ' N ' HG23 ' A' ' 50' ' ' THR . 10.2 p -101.97 8.13 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' CYS . 23.8 m-20 33.12 46.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.408 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.9 ttm -80.54 124.18 28.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -94.06 100.48 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' A' ' 60' ' ' VAL . 3.2 m -124.24 160.2 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.774 ' NE2' HD23 ' A' ' 38' ' ' LEU . 70.1 m80 -74.38 158.02 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HE3' HD13 ' A' ' 22' ' ' ILE . 17.3 mttt -55.34 -33.77 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.7 pp0? -92.89 -7.57 45.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.25 -21.85 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG12 ' CG2' ' A' ' 55' ' ' VAL . 35.0 m -69.88 -28.76 37.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 58' ' ' GLN . 20.5 tt -70.38 -19.5 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 64' ' ' PRO . 64.5 t -44.88 138.52 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.9 Cg_endo -69.81 130.91 20.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.632 2.222 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.1 p -32.48 -62.86 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.1 pp -45.63 159.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 6.0 t -156.47 148.86 23.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.84 44.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -118.72 128.22 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.65 146.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -153.01 121.82 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 t -99.82 140.21 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -123.08 134.08 54.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -99.58 97.75 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.07 144.07 12.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.64 -173.55 16.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -139.96 147.74 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.1 mt -134.78 137.72 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.68 150.01 7.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.04 119.45 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.99 106.7 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -115.35 -5.65 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.9 p -166.64 144.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.83 45.82 7.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -53.76 -48.38 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.06 -107.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' GLY . 32.4 m 56.11 52.18 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.694 ' H ' HD11 ' A' ' 78' ' ' ILE . 3.4 m -97.05 51.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -160.45 -164.54 15.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -28.84 136.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.13 17.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.49 26.93 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.1 p -130.25 174.33 9.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.49 150.1 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -168.92 136.16 1.56 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.36 28.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -88.38 -36.54 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 59.8 p -83.46 -19.16 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -45.47 159.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 19.2 m-70 -89.51 149.37 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -111.61 37.37 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 22.5 m-85 -54.36 108.42 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -106.0 119.57 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.899 HD11 ' HB3' ' A' ' 43' ' ' HIS . 3.1 tp -57.5 118.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -145.85 163.28 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 m -95.14 150.68 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.6 m-85 -115.23 149.63 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.26 -13.24 56.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -133.15 162.73 55.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.766 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -97.48 148.66 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 37' ' ' LEU . 28.2 m-85 -105.59 136.38 45.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 18.7 t -54.18 158.03 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.18 -25.91 10.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 29.9 t60 -78.07 -63.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 24.5 p -85.46 -46.67 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 97.25 63.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -144.69 141.13 29.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.7 tm? -48.52 129.88 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.766 HD12 ' HB ' ' A' ' 29' ' ' THR . 19.3 mt -81.18 111.96 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.56 162.7 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 44' ' ' GLN . . . 109.33 160.2 19.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.82 -46.55 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.431 HG13 ' CG ' ' A' ' 43' ' ' HIS . 1.7 tp -114.45 136.34 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.899 ' HB3' HD11 ' A' ' 22' ' ' ILE . 23.6 m170 52.02 44.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 48.5 mt-30 -54.6 -47.13 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -152.32 -151.39 5.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.587 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.5 mtp -125.78 154.96 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -138.28 118.91 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 50' ' ' THR . 8.3 t -63.5 165.83 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.57 -15.94 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 48' ' ' CYS . 5.9 t -105.32 -37.15 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.0 p -116.84 -0.71 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER 32.03 53.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.6 ttp -95.12 107.83 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.63 118.08 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -141.77 157.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 38' ' ' LEU . 54.7 m80 -69.72 151.76 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HE2' HD13 ' A' ' 22' ' ' ILE . 12.9 mmtt -56.46 -28.66 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.683 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.4 pt20 -93.23 -15.74 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.13 -19.09 40.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.587 HG11 ' SD ' ' A' ' 46' ' ' MET . 15.2 m -66.45 -19.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.2 tt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.0 m-80 -90.7 -44.04 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 64' ' ' PRO . 88.8 t -44.68 138.71 3.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.7 131.23 20.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' PRO . 86.0 p -36.42 -67.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.3 pp -42.15 159.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 50' ' ' THR . 10.3 t -160.01 159.84 32.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 102.94 42.83 2.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ptp -173.0 126.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -93.42 31.82 1.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -168.06 123.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.617 HG21 ' NH1' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -68.59 126.45 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 16.6 mm-40 -164.18 141.35 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER 33.94 53.76 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.617 ' NH1' HG21 ' A' ' 72' ' ' THR . 8.2 ptt180 -95.32 -50.76 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -152.79 -175.22 24.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.6 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 19.0 mmm180 -44.75 170.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.694 HD11 ' H ' ' A' ' 6' ' ' SER . 32.4 mm -89.37 66.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CD1' ' HB2' ' A' ' 77' ' ' ARG . 1.9 p90 -145.09 119.56 9.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -125.4 128.7 48.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -117.35 122.44 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.9 119.65 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -134.07 156.94 47.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 m -104.42 149.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 p 43.11 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -46.56 107.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.34 164.67 30.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -132.15 82.5 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -137.68 170.31 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.04 78.71 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.12 -102.08 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.75 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.27 161.07 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 m -53.67 -59.73 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -51.22 178.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 28.5 t70 -100.74 100.81 13.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.717 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 54.1 Cg_endo -69.76 -18.81 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.331 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -62.63 -37.49 86.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 33.9 m -119.26 85.43 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -113.64 169.01 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.643 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 20.3 m-70 -105.39 133.02 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -97.12 49.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 29.8 m-85 -67.11 116.76 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.93 116.47 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.706 HG23 ' O ' ' A' ' 22' ' ' ILE . 9.9 tp -57.67 108.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -141.75 162.99 34.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 p -82.64 153.59 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.39 143.26 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.42 35.03 4.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 p -169.78 155.0 5.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 107.93 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 HD12 ' A' ' 38' ' ' LEU . 9.6 t -123.51 159.5 28.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 92.6 m-85 -119.92 133.76 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -43.75 160.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.14 -28.41 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' NE2' ' CB ' ' A' ' 62' ' ' ASN . 56.8 t-80 -78.63 -68.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.95 -38.19 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 66.64 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -141.95 149.64 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.46 126.08 20.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 29' ' ' THR . 95.2 mt -90.68 111.1 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -112.12 178.44 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 44' ' ' GLN . . . 125.51 148.34 7.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -52.0 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.7 tt -130.28 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.683 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.1 m170 46.4 48.14 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 67.9 mt-30 -57.7 -46.82 83.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -151.48 -163.88 11.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 8.9 mtp -126.22 131.43 51.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.66 129.86 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 t -74.52 166.9 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -111.61 -22.31 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.24 -39.52 10.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 53' ' ' MET . 17.4 p -113.93 -11.01 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 57.47 38.57 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.426 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.4 ttm -81.23 139.58 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.8 108.52 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.41 150.37 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.646 ' NE2' HD23 ' A' ' 38' ' ' LEU . 65.3 m80 -59.56 146.73 39.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -47.05 -28.13 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 61' ' ' ILE . 10.8 pt20 -93.44 -31.8 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.559 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.3 m -61.36 -34.17 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 46' ' ' MET . 29.4 m -45.01 -34.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 58' ' ' GLN . 4.7 tt -64.07 -35.15 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.559 ' ND2' ' HA ' ' A' ' 59' ' ' CYS . 2.1 m-20 -68.59 -46.11 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.25 139.53 35.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.79 142.25 47.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.38 -51.73 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.779 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -52.1 161.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 10.0 t -158.46 151.15 22.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.44 51.4 2.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.424 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.451 ' CE ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -121.87 7.17 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -51.11 150.81 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.73 -61.56 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 m -65.68 147.56 53.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -137.63 162.13 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -101.35 175.76 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 75' ' ' ARG . 7.4 tmm_? -132.95 141.55 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.29 131.64 4.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG2' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -106.7 154.13 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.72 134.2 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CD2' ' HG2' ' A' ' 77' ' ' ARG . 2.3 p90 -150.97 136.68 18.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 83' ' ' GLU . 9.4 tp -174.66 137.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -125.33 -22.47 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -174.09 105.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.803 ' HB2' HD11 ' A' ' 80' ' ' LEU . 7.8 mt-10 -167.51 -176.92 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.9 t -109.29 131.53 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 62.15 41.93 10.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m 45.77 42.09 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.65 70.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -128.29 89.44 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.63 127.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.11 109.24 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -126.31 96.87 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.8 Cg_endo -69.75 -9.43 26.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.09 -40.08 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -84.47 44.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -164.61 129.15 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.98 140.9 35.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -20.91 34.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -72.48 -46.63 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.5 p -65.97 -32.24 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -42.0 151.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -87.63 142.55 27.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.26 31.27 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 21.7 m-85 -53.46 133.89 40.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -127.83 122.61 33.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.74 HG23 ' O ' ' A' ' 22' ' ' ILE . 10.5 tp -57.35 105.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -137.05 162.91 32.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.47 152.41 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.3 m-85 -111.71 128.53 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.12 -7.05 84.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 p -141.05 158.64 64.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.682 0.753 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.605 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -100.16 156.19 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' HD23 ' A' ' 37' ' ' LEU . 52.9 m-85 -108.96 130.21 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 49.4 t -51.34 158.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -105.11 -30.25 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 79.2 t60 -71.43 -67.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -80.92 -41.02 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.23 58.93 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.2 p -141.94 150.22 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -56.01 128.78 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD23 ' NE2' ' A' ' 56' ' ' HIS . 64.6 mt -78.09 117.13 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' A' ' 37' ' ' LEU . 35.7 m-85 -109.38 134.59 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 152.49 148.09 4.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.48 -48.26 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.451 HG13 ' CG ' ' A' ' 43' ' ' HIS . 3.8 tp -125.66 138.26 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.451 ' CG ' HG13 ' A' ' 42' ' ' ILE . 21.3 m80 54.82 52.65 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 40.9 mt-30 -63.12 -61.26 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.66 -156.35 7.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HG11 ' A' ' 60' ' ' VAL . 22.7 mtp -126.77 149.31 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 124.16 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 t -74.48 165.16 25.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.76 -13.23 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 51' ' ' CYS . 10.2 t -110.59 -50.51 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 50' ' ' THR . 15.3 p -97.74 -5.01 35.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 9.1 p-10 35.11 54.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.406 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.0 ttp -93.51 135.22 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.71 105.1 17.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.09 163.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.628 ' NE2' HD23 ' A' ' 38' ' ' LEU . 62.1 m80 -68.69 151.86 46.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.566 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.7 tmtt? -59.21 -26.52 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.677 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -91.54 -32.5 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.01 -33.57 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.1 m -51.29 -24.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 58' ' ' GLN . 10.0 tt -71.55 -28.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 66.4 m-80 -90.37 -37.19 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 64' ' ' PRO . 89.8 t -55.23 135.57 68.75 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.64 0.733 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.77 148.89 66.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -83.03 18.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 2.0 mm? -84.69 28.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.503 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 50.3 t -40.03 144.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 31.73 3.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.5 ptp -167.16 123.93 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.781 0.324 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -132.08 38.01 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -139.86 128.24 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.0 t -128.18 145.97 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.75 44.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -49.36 128.07 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -102.27 133.4 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.21 -52.73 0.11 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -80.13 160.57 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 78' ' ' ILE . 0.0 OUTLIER -118.77 169.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' N ' HG12 ' A' ' 78' ' ' ILE . 37.8 m-85 -135.27 158.89 43.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tt -108.5 110.71 22.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.73 113.9 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.28 -24.79 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 45.86 45.13 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.584 ' O ' HG22 ' A' ' 84' ' ' VAL . 12.5 p -87.63 39.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.856 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 153.9 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -142.51 171.51 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.04 171.14 29.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -168.94 130.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -140.44 177.48 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.23 -149.39 5.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.53 -178.43 33.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -35.64 12.3 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' THR . 12.0 m-20 45.08 41.17 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' ASP . 41.2 p -34.65 -55.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.37 109.09 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.19 152.88 70.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -26.12 27.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -70.54 -43.12 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 17' ' ' LYS . 16.1 m -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' SER . 13.4 mmmt -33.74 143.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 34.9 m-70 -83.27 134.35 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -87.49 33.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 27.5 m-85 -54.29 121.21 7.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -118.57 122.88 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.6 tp -59.15 110.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 154.8 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 43' ' ' HIS . 76.9 p -82.62 157.03 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -122.41 152.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.91 -7.83 52.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.0 m -134.48 155.89 79.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 93.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.228 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.584 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -89.34 150.03 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.922 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 48.6 m-85 -107.73 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -47.73 160.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -103.5 -38.58 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -68.32 -66.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.11 -36.02 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.59 -22.63 38.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 m -47.15 149.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.922 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -75.41 135.34 40.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.861 HD23 ' CD2' ' A' ' 56' ' ' HIS . 19.6 mt -83.28 111.62 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.6 142.63 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.6 165.3 14.14 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' N ' HD22 ' A' ' 41' ' ' LEU . 3.0 mm? -88.82 -41.98 12.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.8 tt -138.23 150.97 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.7 m170 51.85 44.03 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.29 -51.84 68.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.04 -172.6 17.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.596 ' SD ' HG11 ' A' ' 60' ' ' VAL . 37.4 mtp -120.13 154.33 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -133.95 121.34 21.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.4 t -63.58 168.7 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -104.05 -22.54 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -102.51 -37.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -114.52 -2.91 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 5.7 p-10 30.92 54.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.447 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.5 ttp -89.75 136.24 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.63 120.82 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -152.3 166.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.861 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.8 m80 -74.78 150.49 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.2 tmtt? -58.4 -27.04 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.708 ' O ' HG22 ' A' ' 61' ' ' ILE . 23.0 pt20 -93.42 -25.81 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.546 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 8.2 m -70.06 -30.14 67.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG11 ' SD ' ' A' ' 46' ' ' MET . 25.2 m -46.88 -38.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.5 tt -64.64 -30.37 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.557 ' OD1' HG23 ' A' ' 61' ' ' ILE . 1.6 m-20 -76.57 -43.48 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.64 129.59 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 128.69 16.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 p -37.78 -26.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -43.91 106.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.1 t -144.6 156.94 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.38 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.8 mmt -94.46 -36.32 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.0 t70 53.76 40.88 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 38.5 p-80 -66.44 91.75 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 t -81.77 163.89 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -85.34 44.06 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 10.8 tmtt? -123.21 114.36 20.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.85 153.62 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.34 155.88 25.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.9 tmm_? -68.79 138.16 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mt -134.37 35.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.9 p90 -154.9 126.07 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -114.28 161.31 18.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.3 tppt? -147.91 168.15 22.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 81' ' ' LYS . . . 74.49 47.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -66.18 -179.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.9 p -151.45 152.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.979 0.419 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -43.64 150.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.412 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 m-70 -85.15 138.29 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -97.75 39.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 28.5 m-85 -57.08 134.57 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -129.61 125.58 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.8 tp -59.59 116.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 24' ' ' THR . 11.2 t-160 -145.08 163.05 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 80.1 p -95.42 159.11 15.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.3 m-85 -121.98 156.33 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.28 -17.84 14.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -122.69 160.77 47.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.713 0.768 . . . . 0.0 110.786 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.25 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.75 156.09 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -116.58 136.66 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 39.0 t -47.6 159.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -101.19 -28.99 12.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -77.85 -71.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 p -79.84 -36.27 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.4 63.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LEU . 70.9 m -140.06 138.26 35.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -37.33 135.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -102.83 99.35 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -97.35 172.63 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 128.95 153.12 7.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -91.89 -50.05 5.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.51 129.69 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 22' ' ' ILE . 29.4 m170 65.95 45.61 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 54.3 mt-30 -56.02 -60.88 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.4 -160.42 8.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtp -128.49 148.65 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -134.8 127.38 30.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.6 t -67.51 165.55 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -105.0 -13.77 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.0 t -106.8 -43.73 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' ASP . 21.3 p -108.97 2.8 21.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.1 m-20 33.14 54.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.9 ttp -98.26 116.36 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -79.01 120.6 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -146.82 151.91 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.781 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.4 m80 -59.45 156.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.637 ' O ' HG22 ' A' ' 60' ' ' VAL . 27.7 tttt -62.51 -29.14 70.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -92.71 -10.69 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 m -87.75 -24.38 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 57' ' ' LYS . 3.5 m -57.24 -33.93 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 tt -71.09 -28.34 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -83.59 -37.56 22.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 59' ' ' CYS . 94.4 t -53.95 135.41 57.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.536 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.1 Cg_endo -69.73 119.98 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' PRO . 76.9 p -36.17 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.5 mm? -39.11 101.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 26.3 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.28 159.68 15.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 32.9 m-70 -99.35 140.94 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -110.15 34.46 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -46.65 109.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -109.79 127.4 54.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.644 HD13 ' HE2' ' A' ' 57' ' ' LYS . 7.1 tp -59.74 118.77 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -143.15 162.42 35.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.689 HG23 ' HA ' ' A' ' 42' ' ' ILE . 7.5 m -95.24 140.55 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 3.6 m-85 -106.48 113.41 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.1 -11.11 17.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.5 p -136.46 154.78 77.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.5 Cg_endo -69.75 98.2 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.9 158.46 15.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CE1' HD23 ' A' ' 37' ' ' LEU . 47.0 m-85 -107.84 130.85 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 48.7 t -47.57 156.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.72 -25.48 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -78.19 -71.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -79.77 -47.33 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.88 58.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LEU . 44.0 m -138.51 126.48 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tm? -35.53 132.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.669 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.7 mt -84.71 108.29 17.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.73 154.01 22.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.71 154.68 10.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -93.89 -45.68 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.689 ' HA ' HG23 ' A' ' 24' ' ' THR . 8.9 tt -123.7 142.95 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.408 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.8 m170 54.31 44.8 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.99 -54.35 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.529 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -140.56 -153.75 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtp -126.82 142.57 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -129.44 125.69 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.572 ' SG ' HG22 ' A' ' 50' ' ' THR . 10.0 t -65.66 165.45 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.32 -12.84 15.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.572 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.8 t -107.87 -37.58 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 14.1 p -114.57 -5.54 12.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 39.97 54.56 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 27.1 ttp -101.25 105.75 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' HG13 ' A' ' 55' ' ' VAL . 2.9 m-20 -63.2 129.39 40.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 54' ' ' ASN . 18.6 m -157.25 144.33 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 38' ' ' LEU . 52.1 m80 -56.96 163.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.644 ' HE2' HD13 ' A' ' 22' ' ' ILE . 25.1 mttm -66.92 -28.85 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.0 pt20 -92.47 -7.97 45.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.15 -31.84 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 57' ' ' LYS . 32.0 m -55.14 -37.1 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' GLN . 14.3 tt -67.68 -23.42 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -84.46 -37.3 21.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 64' ' ' PRO . 97.4 t -60.41 138.62 92.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.3 Cg_endo -69.8 137.59 35.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' PRO . 93.4 p -34.05 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 mt -47.84 144.85 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 50' ' ' THR . 4.5 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.0 mmtm -34.71 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -78.42 158.19 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.98 33.5 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -51.69 126.59 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.27 131.23 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 43' ' ' HIS . 6.7 tp -59.75 114.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.97 162.52 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -96.3 145.45 25.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.1 m-85 -116.26 156.5 26.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.37 -8.1 33.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 m -133.65 159.02 74.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.79 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.297 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.551 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -94.32 156.64 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.796 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 44.5 m-85 -116.73 124.09 48.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -43.26 159.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -105.79 -29.96 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -75.06 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -83.81 -42.25 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.74 61.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -139.63 133.48 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.796 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -42.78 135.26 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 37' ' ' LEU . 82.0 mt -88.28 120.66 29.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -98.62 153.08 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.71 162.25 11.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.76 -45.8 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 tt -121.12 142.45 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.7 m170 52.41 41.34 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -54.98 -53.32 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -145.15 -150.67 5.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 mtp -131.7 153.11 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.33 129.41 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.7 t -63.66 165.4 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -99.48 -20.19 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -107.83 -49.51 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.558 ' N ' HG23 ' A' ' 50' ' ' THR . 3.9 p -95.99 -4.54 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.9 p30 32.61 54.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.1 ttp -95.29 116.12 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -68.63 124.78 24.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -153.36 155.37 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.571 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.5 m80 -66.63 162.22 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 60' ' ' VAL . 6.3 mtpm? -65.83 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.936 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.2 pt20 -92.08 -21.18 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 -26.07 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 56' ' ' HIS . 12.5 m -59.33 -22.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.936 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.6 tt -79.02 -21.61 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -98.96 -24.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.5 128.24 89.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.76 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' CYS . 80.0 p -37.39 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.1 mm? -40.27 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' SER . 48.8 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 67' ' ' CYS . 74.0 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.88 149.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 32.1 m-70 -82.74 136.42 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -95.75 42.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.37 120.16 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 129.21 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' ILE . 6.7 tp -60.23 97.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -134.84 159.79 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.2 t -100.62 148.27 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -99.78 150.73 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.11 61.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.42 164.61 37.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.75 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -110.49 153.86 24.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 8.0 m-85 -116.27 127.27 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 t -45.53 157.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.8 -22.09 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.55 -62.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.16 -47.6 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 51.54 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -140.86 140.28 34.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.0 tp -54.52 145.56 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' NE2' ' A' ' 56' ' ' HIS . 12.5 mt -96.57 106.25 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.2 m-85 -90.02 158.83 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.29 146.38 6.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.71 -52.94 13.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -134.33 154.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.643 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.3 m170 55.98 36.55 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.75 -43.29 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -157.29 -140.94 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mtp -135.36 146.05 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -130.24 129.15 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 50' ' ' THR . 4.4 t -73.84 157.7 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -103.77 -0.42 29.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.505 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -117.97 -41.46 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.9 p -114.09 5.74 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' CYS . 14.9 m-20 32.64 52.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 ttp -99.35 109.81 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -76.28 128.38 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -151.17 160.62 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.588 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.7 m80 -70.56 150.83 45.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 60' ' ' VAL . 1.1 mmmp? -56.24 -30.25 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 61' ' ' ILE . 16.9 pt20 -91.45 -9.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.68 -18.3 29.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.6 m -72.2 -24.59 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -70.11 -22.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.38 -45.75 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.2 139.64 34.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 124.66 11.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' PRO . 47.1 p -33.19 -59.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -36.97 155.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.782 ' N ' HD12 ' A' ' 66' ' ' LEU . 10.9 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 65' ' ' SER . 59.7 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.895 0.379 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -50.17 149.29 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -90.94 133.23 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.9 34.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -51.12 117.64 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -117.24 126.29 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 43' ' ' HIS . 10.0 tp -60.66 110.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -144.41 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.4 p -87.73 159.37 18.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -119.49 126.69 51.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -21.09 60.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -137.61 163.02 51.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.7 101.38 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.643 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 149.61 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -100.63 129.3 46.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 44.5 t -50.96 159.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -104.64 -32.43 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -66.93 -65.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.36 -45.91 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.15 57.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -135.44 134.85 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.731 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.9 tm? -42.71 126.77 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.6 mt -79.41 112.36 16.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' ' 37' ' ' LEU . 26.2 m-85 -94.25 174.22 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.28 152.72 24.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.94 -50.49 6.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 43' ' ' HIS . 16.5 tt -117.89 153.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.838 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.2 m170 47.18 44.29 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 42' ' ' ILE . 2.5 mp0 -60.94 -55.85 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.01 -163.07 9.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 mtp -131.91 145.09 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -126.09 139.12 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.611 ' SG ' HG22 ' A' ' 50' ' ' THR . 14.9 t -76.32 165.7 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.97 -0.03 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.611 HG22 ' SG ' ' A' ' 48' ' ' CYS . 3.4 t -127.57 -37.18 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -114.3 -1.46 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' CYS . 8.2 m-20 32.19 54.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.7 ttp -90.68 125.96 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG21 ' A' ' 29' ' ' THR . 4.8 m120 -80.33 115.45 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.39 154.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.666 ' CD2' HD23 ' A' ' 38' ' ' LEU . 69.3 m80 -67.64 157.61 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.604 ' O ' HG22 ' A' ' 60' ' ' VAL . 33.4 tttt -60.42 -31.94 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.5 pp0? -92.67 -9.06 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.72 -21.68 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.8 m -65.82 -31.06 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.4 tt -67.78 -22.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -93.79 -33.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.67 131.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 151.0 69.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 m -85.25 21.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -87.87 28.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 50' ' ' THR . 49.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.17 160.03 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 26.5 m-70 -95.85 142.4 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -108.08 40.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -56.05 139.21 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 14.1 ttmt -142.34 133.77 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 22' ' ' ILE . 11.0 tp -64.97 114.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 21' ' ' LYS . 15.4 m170 -142.88 161.63 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -91.29 138.34 31.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.53 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.05 37.29 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -172.17 153.01 2.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.39 3.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 38' ' ' LEU . 5.5 t -121.18 150.62 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.3 m-85 -110.63 122.57 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.2 t -41.3 155.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -101.44 -27.92 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 43.4 t60 -75.61 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.66 -43.19 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.02 63.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.1 m -143.73 134.32 24.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.4 tm? -46.61 125.25 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.665 HD23 ' NE2' ' A' ' 56' ' ' HIS . 85.6 mt -86.28 111.17 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 37' ' ' LEU . 58.2 m-85 -95.01 172.82 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.94 147.97 8.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -49.9 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.11 139.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.89 46.13 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 10.6 mp0 -61.39 -61.31 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.92 -161.32 8.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.9 mtp -119.36 143.36 47.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -127.48 132.63 49.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 50' ' ' THR . 6.3 t -72.98 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.0 -11.84 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 48' ' ' CYS . 9.8 t -112.47 -30.95 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' ASP . 8.3 p -120.47 -2.48 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.6 p-10 34.46 53.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.1 ttp -97.48 116.77 30.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG13 ' A' ' 55' ' ' VAL . 1.9 m120 -74.14 134.34 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 54' ' ' ASN . 20.1 m -159.98 162.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.665 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.9 m80 -74.38 153.47 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -58.82 -29.16 66.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' ILE . 17.4 pt20 -92.04 -8.08 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.62 -37.92 17.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 57' ' ' LYS . 16.0 m -50.77 -24.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.0 tt -74.2 -29.33 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.426 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 54.5 m-80 -81.85 -38.08 25.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.613 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -49.34 137.38 15.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.613 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.79 140.91 43.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -40.12 -33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 47.8 mt -59.55 158.48 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 13.3 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.965 0.412 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -38.04 142.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -84.84 140.27 31.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -98.88 36.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD2' HG12 ' A' ' 60' ' ' VAL . 25.6 m-85 -55.15 122.26 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 120.86 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.576 HD13 ' CE ' ' A' ' 57' ' ' LYS . 9.4 tp -58.32 122.77 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 36.7 t60 -143.06 162.87 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 m -86.14 131.95 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 7.3 m-85 -107.71 150.76 26.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.41 7.09 12.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.2 p -134.25 161.09 65.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 54.3 Cg_endo -69.73 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -100.7 159.44 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -132.26 136.56 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.5 t -56.44 128.05 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -73.96 -19.88 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -81.93 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.76 -58.85 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.74 22.7 3.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.0 m -113.35 148.49 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 29' ' ' THR . 7.0 tp -57.68 152.24 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.478 HD12 ' HB ' ' A' ' 29' ' ' THR . 33.6 mt -100.44 98.97 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -174.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.83 155.05 29.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -95.18 -47.05 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -126.66 136.01 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CG ' HD13 ' A' ' 42' ' ' ILE . 15.7 m170 62.1 52.02 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -64.66 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.32 -174.38 13.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.727 ' SD ' HG21 ' A' ' 60' ' ' VAL . 7.1 mtp -105.26 138.59 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -119.33 123.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.55 162.53 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -106.13 -9.38 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -111.32 -43.03 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.4 p -109.65 2.41 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.9 m-20 33.99 53.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ttp -100.51 122.81 43.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.525 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 1.8 p30 -87.0 129.26 34.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.411 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 m -150.74 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 42.9 m80 -76.88 148.03 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.576 ' CE ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -52.89 -35.28 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 61' ' ' ILE . 26.8 pt20 -86.8 -7.55 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 m -89.21 -39.21 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.727 HG21 ' SD ' ' A' ' 46' ' ' MET . 2.8 m -48.31 -34.58 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -74.12 -25.67 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -87.99 -32.35 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 64' ' ' PRO . 95.4 t -58.96 133.54 87.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 127.93 15.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' CYS . 4.5 t -37.88 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -38.63 95.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' SER . 34.0 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.933 0.397 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -42.97 163.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.4 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 24.4 m-70 -97.58 137.23 36.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.63 37.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 19.4 m-85 -57.34 119.19 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -116.82 119.59 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 22' ' ' ILE . 8.6 tp -60.72 114.03 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -143.32 159.7 41.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -88.79 155.15 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.3 m-85 -120.9 148.91 43.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.58 -1.73 53.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 1.7 m -137.17 155.53 75.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.698 0.761 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.8 Cg_endo -69.78 98.04 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 158.38 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 37' ' ' LEU . 61.3 m-85 -111.51 124.05 51.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.3 t -45.57 160.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -105.6 -38.0 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -71.11 -68.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 p -85.72 -35.53 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.0 -34.43 5.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 m -40.39 150.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 29' ' ' THR . 6.4 tp -73.43 151.86 40.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 29' ' ' THR . 17.5 mt -92.52 108.35 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -114.34 163.92 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.2 163.59 11.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 tt -93.59 -43.3 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 43' ' ' HIS . 3.0 tp -128.56 140.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' ILE . 27.9 m170 57.8 40.03 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -47.87 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -144.19 -174.6 16.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.497 ' SD ' HG11 ' A' ' 60' ' ' VAL . 11.7 mtp -115.62 145.44 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.55 127.49 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 t -71.23 166.26 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -108.98 -20.69 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 -36.32 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 10.4 p -113.82 -6.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 47' ' ' LYS . 4.0 t70 41.3 54.4 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.2 ttp -101.72 132.48 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -89.62 130.35 35.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 54' ' ' ASN . 21.8 m -156.91 142.74 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 73.3 m80 -60.3 161.98 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.2 mttt -61.83 -31.71 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.818 ' O ' HG22 ' A' ' 61' ' ' ILE . 27.9 pt20 -91.45 -8.12 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.77 -25.56 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.497 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.7 m -68.31 -26.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.818 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.5 tt -66.36 -23.9 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.91 -43.1 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.63 HG13 ' HD2' ' A' ' 64' ' ' PRO . 58.5 t -53.43 138.18 49.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.75 164.89 32.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -81.61 38.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 27.8 mt -124.99 141.26 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.9 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.849 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -39.8 158.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.441 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 30.1 m-70 -81.65 164.66 21.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -124.83 32.02 5.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 27.3 m-85 -52.11 138.8 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -126.0 122.41 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.691 HD13 ' HG3' ' A' ' 57' ' ' LYS . 9.6 tp -60.16 110.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 24' ' ' THR . 66.4 t-80 -143.9 162.95 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 42' ' ' ILE . 24.1 p -88.65 156.91 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.54 129.88 53.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.55 -9.61 83.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -129.62 154.91 80.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 97.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.695 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -96.89 158.84 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -111.65 137.75 49.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.68 159.49 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -105.72 -36.28 7.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -71.57 -68.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.89 -36.1 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.25 -30.8 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -47.65 148.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.75 151.88 46.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 ' HB ' ' A' ' 29' ' ' THR . 15.6 mt -94.72 109.82 21.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.77 162.83 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.11 149.57 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.28 -51.53 10.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 43' ' ' HIS . 18.5 tt -131.97 139.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.517 ' CD2' HG12 ' A' ' 42' ' ' ILE . 26.1 m170 63.66 45.38 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.56 -74.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.3 -170.78 13.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.495 ' HE2' ' N ' ' A' ' 22' ' ' ILE . 19.6 mtp -124.88 152.86 43.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -133.35 130.2 38.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 6.3 t -70.78 167.14 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.79 -17.68 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 51' ' ' CYS . 3.2 t -108.75 -47.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.3 p -102.51 -2.03 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 7.3 p-10 32.12 54.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.9 ttp -89.72 123.12 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -84.13 109.07 17.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 HG12 ' A' ' 60' ' ' VAL . 27.6 m -135.97 146.61 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.537 ' CD2' HD23 ' A' ' 38' ' ' LEU . 39.9 m80 -55.33 137.63 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HG3' HD13 ' A' ' 22' ' ' ILE . 9.8 tmtt? -47.22 -25.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.92 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.2 pt20 -92.96 -32.68 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.12 -31.04 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.418 HG11 ' SD ' ' A' ' 46' ' ' MET . 4.3 m -53.78 -25.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 58' ' ' GLN . 2.3 tp -63.52 -30.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.647 ' ND2' HG23 ' A' ' 61' ' ' ILE . 30.2 m-80 -96.94 -39.02 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -38.05 130.72 0.97 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.2 p -41.75 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -47.29 133.18 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 20.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.389 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -76.04 163.38 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 61.0 m-70 -106.24 132.02 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -98.17 40.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 33.2 m-85 -53.91 138.42 36.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -138.58 131.45 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.791 HD13 ' HE2' ' A' ' 57' ' ' LYS . 8.4 tp -59.24 108.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 47' ' ' LYS . 1.5 p80 -137.51 161.65 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 p -91.02 155.27 18.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.3 m-85 -117.28 112.51 20.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.26 -11.58 20.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -137.96 155.62 74.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 99.43 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.01 159.36 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m-85 -110.5 126.6 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 38.5 t -42.9 157.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -106.88 -22.81 12.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -79.78 -60.37 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.62 -40.9 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.68 62.88 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -140.77 131.25 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tm? -39.42 124.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' NE2' ' A' ' 56' ' ' HIS . 16.2 mt -80.13 118.1 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 50.1 m-85 -103.36 155.02 18.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.64 153.63 8.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.87 -46.74 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.87 142.14 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.712 ' HB3' HD11 ' A' ' 22' ' ' ILE . 32.0 m170 43.34 54.31 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -61.36 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -135.45 -153.29 6.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.431 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.692 ' SD ' HG11 ' A' ' 60' ' ' VAL . 19.1 mtp -127.43 146.16 50.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 13.9 ttmm -133.26 128.52 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 165.34 9.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -102.23 -11.38 18.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.7 t -112.09 -49.14 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 19.9 p -100.59 -1.33 35.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 68.5 m-20 34.31 54.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 25.3 ttp -90.86 119.24 30.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 54' ' ' ASN . 1.2 p30 -77.31 118.65 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -144.78 170.47 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.781 ' NE2' HD23 ' A' ' 38' ' ' LEU . 38.3 m80 -81.6 160.75 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HE2' HD13 ' A' ' 22' ' ' ILE . 6.8 tptp -61.95 -36.23 80.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.803 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.5 pm0 -88.36 -10.54 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.8 m -83.23 -30.25 27.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.5 m -58.67 -24.61 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' GLN . 12.0 tt -81.05 -20.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -95.09 -25.01 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 59' ' ' CYS . 61.5 t -60.97 133.49 92.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.666 0.746 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.79 166.89 26.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -82.75 37.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -103.43 86.66 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 47.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.99 0.424 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -40.72 158.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 66' ' ' LEU . 18.7 m-70 -95.44 148.86 22.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -102.8 22.02 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -41.42 123.73 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.48 129.8 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.698 ' O ' HG23 ' A' ' 22' ' ' ILE . 6.8 tp -64.26 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -145.79 144.2 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 7.4 t -88.42 149.85 23.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 3.8 m-85 -100.78 149.03 24.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.38 -4.7 64.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -132.33 157.76 77.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 101.0 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.415 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -105.21 154.03 20.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 50.6 m-85 -107.4 120.72 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -41.05 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.86 -27.04 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 47.2 t60 -81.24 -73.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.4 p -72.34 -46.75 54.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.12 31.36 5.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -114.96 137.02 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 3.6 tp -50.49 150.06 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.415 HD12 ' HB ' ' A' ' 29' ' ' THR . 9.3 mt -102.33 124.75 48.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -115.77 160.95 19.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.5 160.2 10.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -46.38 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' CG ' ' A' ' 43' ' ' HIS . 10.4 tp -128.42 153.57 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.552 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.7 m80 44.2 49.99 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.19 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.1 -151.04 6.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.459 ' HG3' HG11 ' A' ' 60' ' ' VAL . 29.3 mmm -135.51 132.66 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -119.53 122.72 42.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.621 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.5 t -64.26 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -107.21 -4.32 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.621 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.5 t -119.03 -37.79 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -116.33 0.3 12.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER 33.08 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.0 ttp -94.86 113.08 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -74.38 125.51 28.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -154.68 138.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.404 ' NE2' HD23 ' A' ' 38' ' ' LEU . 68.6 m80 -43.31 153.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -29.2 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.819 ' O ' HG22 ' A' ' 61' ' ' ILE . 15.5 pm0 -92.68 -16.0 26.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.46 -31.16 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 46' ' ' MET . 10.7 m -53.67 -22.91 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.819 HG22 ' O ' ' A' ' 58' ' ' GLN . 6.8 tt -72.54 -25.74 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 22.9 m-80 -86.46 -39.77 15.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 64' ' ' PRO . 62.1 t -52.98 137.88 45.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.731 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.73 129.76 18.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' PRO . 64.1 m -33.71 -37.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 24.9 mt -53.61 163.21 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 50' ' ' THR . 12.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 52.0 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.907 0.384 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -46.23 147.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 24.7 m-70 -78.16 172.08 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -133.9 43.22 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.3 140.47 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 124.46 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 22' ' ' ILE . 9.6 tp -57.53 107.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -140.78 161.11 38.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -98.31 144.68 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -104.99 161.82 13.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.58 -13.15 24.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.3 p -131.77 160.43 67.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.653 0.74 . . . . 0.0 110.836 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 53.7 Cg_endo -69.73 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.535 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -101.02 156.41 17.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' A' ' 37' ' ' LEU . 56.1 m-85 -110.17 134.97 51.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.17 155.31 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.92 -32.05 9.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -66.18 -68.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -84.6 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.63 6.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -111.32 141.1 45.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 30' ' ' PHE . 5.2 tp -52.84 150.23 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.535 HD12 ' HB ' ' A' ' 29' ' ' THR . 44.2 mt -98.27 93.46 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 164.48 14.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 41' ' ' LEU . . . 134.06 161.49 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.677 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -99.82 -45.99 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.76 129.22 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CG ' HD13 ' A' ' 42' ' ' ILE . 42.7 m170 58.92 54.36 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -55.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.58 -160.78 10.13 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 mtp -113.67 153.79 28.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -134.77 132.0 38.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.4 t -78.22 165.15 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -107.95 -8.46 15.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.493 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -113.66 -42.29 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -109.59 7.58 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 p-10 33.06 42.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 3.4 ttm -77.68 149.59 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 53' ' ' MET . 0.6 OUTLIER -118.51 107.03 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 60' ' ' VAL . 15.4 m -134.94 170.39 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -80.23 162.38 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' O ' HG22 ' A' ' 60' ' ' VAL . 39.1 tttm -58.82 -35.74 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.465 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.9 pt20 -88.96 -6.4 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.95 -38.17 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 57' ' ' LYS . 15.7 m -55.31 -40.81 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.44 -34.59 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -80.08 -44.85 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.0 t -42.45 140.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.69 118.36 5.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 64' ' ' PRO . 6.9 t -30.4 -51.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -46.76 152.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.5 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 58.8 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.962 0.41 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' SER . 58.6 mmtt -36.91 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -88.91 160.31 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -114.15 23.48 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 26.0 m-85 -43.09 135.68 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 122.73 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 43' ' ' HIS . 9.3 tp -59.13 120.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 11.2 m170 -144.23 158.51 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 m -93.17 131.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -113.83 149.01 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.21 15.87 58.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -143.76 158.53 56.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.6 Cg_endo -69.75 97.58 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.858 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -86.89 138.5 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -104.93 128.5 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.01 159.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -107.21 -31.34 8.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -77.09 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -79.86 -33.97 39.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.69 -28.32 16.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 m -52.99 152.29 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 38' ' ' LEU . 5.3 tp -70.64 153.13 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.858 HD12 ' HB ' ' A' ' 29' ' ' THR . 37.3 mt -94.44 91.22 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -72.15 179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 81.63 77.85 1.01 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.0 mp -30.3 -49.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.6 125.37 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.2 m80 56.89 43.92 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 65.7 mt-30 -47.95 -60.65 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -146.51 -150.86 5.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.928 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.6 mtp -128.6 155.88 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -136.87 130.12 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 7.3 t -71.58 165.29 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -104.9 -17.76 14.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -105.39 -39.97 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 11.2 p -112.7 -2.42 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 1.3 m-20 33.92 54.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.2 ttp -95.79 116.61 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 13.3 m120 -71.21 130.43 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 34.4 m -159.78 144.36 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.598 ' HA ' HD22 ' A' ' 38' ' ' LEU . 48.5 m80 -46.97 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 60' ' ' VAL . 46.9 tttm -78.01 -33.64 51.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -89.38 -33.13 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.9 m -57.29 -19.54 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.928 HG11 ' SD ' ' A' ' 46' ' ' MET . 18.1 m -62.75 -20.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.2 tt -80.93 -22.09 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -102.56 -26.32 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 59' ' ' CYS . 10.1 t -49.71 131.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 67' ' ' CYS . 39.8 m -39.07 -27.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.48 ' CD2' ' H ' ' A' ' 66' ' ' LEU . 3.1 mm? -38.64 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 50' ' ' THR . 31.9 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' CYS . 59.3 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.896 0.379 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -44.47 151.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 26.4 m-70 -81.15 150.29 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -112.99 35.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 24.3 m-85 -52.3 146.85 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -145.43 131.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 22' ' ' ILE . 6.6 tp -61.5 100.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -140.27 149.61 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -87.34 147.11 25.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -99.18 151.04 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.5 -13.08 80.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -141.65 163.37 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.1 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -98.0 158.99 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.933 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 23.4 m-85 -111.88 126.51 55.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 29.6 t -43.56 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -109.06 -20.93 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 16.2 t60 -84.98 -67.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.66 -44.94 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.05 62.09 1.02 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -139.91 144.27 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -57.3 127.84 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 37' ' ' LEU . 14.6 mt -78.53 125.15 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.54 168.85 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.32 150.81 13.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.45 -50.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.0 tt -133.59 154.2 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' HB3' HD11 ' A' ' 22' ' ' ILE . 47.1 m170 56.85 36.28 27.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -54.13 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.571 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -133.0 -138.47 4.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 mtp -136.73 144.02 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -127.37 130.22 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.9 t -73.82 165.49 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -105.23 -16.09 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.42 HG22 ' SG ' ' A' ' 48' ' ' CYS . 1.9 t -106.47 -43.42 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.6 p -106.73 4.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' CYS . 16.7 m-20 29.53 52.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 ttp -93.83 133.42 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.728 ' ND2' HG21 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.02 113.05 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.81 155.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.65 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.9 m80 -69.68 156.23 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -60.88 -29.27 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -7.39 47.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 m -91.96 -17.91 24.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.1 m -67.34 -29.95 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.02 -25.23 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 26.1 m-80 -86.45 -43.27 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -47.17 138.7 7.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.175 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 130.38 19.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.377 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.0 m -34.81 -66.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.4 pp -42.22 157.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 3.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 5.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.943 0.402 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 6.6 mtmp? -35.18 152.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 43.1 m-70 -83.27 133.88 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -86.73 35.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 17.9 m-85 -53.95 134.49 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.69 135.17 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 43' ' ' HIS . 8.6 tp -57.24 110.2 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -138.23 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -92.36 132.92 36.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 38' ' ' LEU . 91.1 m-85 -88.15 128.91 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.33 -16.12 80.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -144.54 156.58 56.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.636 2.224 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.529 ' CG2' HD12 ' A' ' 38' ' ' LEU . 2.2 t -113.52 157.64 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -97.6 121.65 39.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -41.85 156.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -99.91 -35.89 9.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -72.6 -72.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -80.56 -35.36 34.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.85 -29.84 10.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.5 m -49.18 149.56 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.862 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.8 tp -72.79 150.93 42.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 56' ' ' HIS . 77.0 mt -95.02 106.8 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.862 ' CE2' HD23 ' A' ' 37' ' ' LEU . 16.0 m-85 -99.73 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 161.01 11.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.08 -42.68 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.503 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.4 tt -138.86 143.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.757 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.0 m170 52.52 52.05 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -69.12 -57.23 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -137.16 -145.72 5.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 60' ' ' VAL . 21.6 mtp -134.76 154.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 115.91 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.1 t -55.22 168.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.55 -28.83 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 t -94.94 -39.75 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 5.9 p -109.6 -7.93 15.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.4 p30 38.47 54.97 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.449 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 33.3 ttp -91.96 138.75 31.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.47 117.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.411 HG11 ' CE ' ' A' ' 53' ' ' MET . 35.6 m -147.83 151.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.71 ' CD2' HD23 ' A' ' 38' ' ' LEU . 76.9 m80 -62.34 152.97 32.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.7 mmmt -57.21 -28.15 62.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.453 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -90.21 -35.9 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.0 -31.22 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 46' ' ' MET . 6.3 m -53.88 -29.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 58' ' ' GLN . 7.2 tt -66.37 -31.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -79.34 -43.83 22.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.512 HG13 ' HD2' ' A' ' 64' ' ' PRO . 46.8 t -48.15 136.01 11.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -68.54 70.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -166.69 153.44 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.8 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' CYS . 54.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -50.74 154.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 24.1 m-70 -88.67 138.16 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -105.41 70.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 44.8 m-85 -85.45 138.39 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.62 132.13 38.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.919 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.0 tp -60.37 114.75 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.13 163.12 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 m -102.98 142.93 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 3.7 m-85 -108.75 132.07 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.8 -2.96 83.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 p -133.03 156.25 80.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.5 Cg_endo -69.71 101.1 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.464 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.47 159.37 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.98 127.53 53.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 17.2 t -49.02 158.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -107.58 -23.02 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 34.2 t60 -81.37 -63.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.89 -47.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.58 30.61 4.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -115.25 143.2 45.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 28' ' ' PRO . 4.9 tp -52.38 150.74 4.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.774 HD23 ' NE2' ' A' ' 56' ' ' HIS . 72.3 mt -100.77 85.04 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.21 172.51 12.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.72 140.63 6.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.86 -54.8 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.421 HG12 ' CG ' ' A' ' 43' ' ' HIS . 17.9 tt -125.4 149.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.919 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.6 m80 48.48 51.27 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 29.9 mt-30 -61.61 -58.63 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.09 -161.12 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtp -118.76 141.03 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -123.07 133.79 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -69.41 165.43 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.35 -15.87 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.2 t -110.03 -48.63 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.517 ' N ' HG23 ' A' ' 50' ' ' THR . 10.2 p -101.97 8.13 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' CYS . 23.8 m-20 33.12 46.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.408 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.9 ttm -80.54 124.18 28.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -94.06 100.48 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' A' ' 60' ' ' VAL . 3.2 m -124.24 160.2 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.774 ' NE2' HD23 ' A' ' 38' ' ' LEU . 70.1 m80 -74.38 158.02 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HE3' HD13 ' A' ' 22' ' ' ILE . 17.3 mttt -55.34 -33.77 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.7 pp0? -92.89 -7.57 45.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.25 -21.85 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.695 HG12 ' CG2' ' A' ' 55' ' ' VAL . 35.0 m -69.88 -28.76 37.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 58' ' ' GLN . 20.5 tt -70.38 -19.5 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.9 m-80 -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 64' ' ' PRO . 64.5 t -44.88 138.52 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.9 Cg_endo -69.81 130.91 20.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.632 2.222 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.1 p -32.48 -62.86 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.1 pp -45.63 159.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 6.0 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 59.8 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.968 0.413 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -45.47 159.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 19.2 m-70 -89.51 149.37 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -111.61 37.37 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 22.5 m-85 -54.36 108.42 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -106.0 119.57 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.899 HD11 ' HB3' ' A' ' 43' ' ' HIS . 3.1 tp -57.5 118.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -145.85 163.28 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 m -95.14 150.68 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.6 m-85 -115.23 149.63 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.26 -13.24 56.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -133.15 162.73 55.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.766 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -97.48 148.66 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 37' ' ' LEU . 28.2 m-85 -105.59 136.38 45.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 18.7 t -54.18 158.03 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.18 -25.91 10.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 29.9 t60 -78.07 -63.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 24.5 p -85.46 -46.67 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 97.25 63.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -144.69 141.13 29.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.7 tm? -48.52 129.88 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.766 HD12 ' HB ' ' A' ' 29' ' ' THR . 19.3 mt -81.18 111.96 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.56 162.7 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 44' ' ' GLN . . . 109.33 160.2 19.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.82 -46.55 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.431 HG13 ' CG ' ' A' ' 43' ' ' HIS . 1.7 tp -114.45 136.34 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.899 ' HB3' HD11 ' A' ' 22' ' ' ILE . 23.6 m170 52.02 44.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 48.5 mt-30 -54.6 -47.13 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -152.32 -151.39 5.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.587 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.5 mtp -125.78 154.96 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -138.28 118.91 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 50' ' ' THR . 8.3 t -63.5 165.83 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.57 -15.94 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 48' ' ' CYS . 5.9 t -105.32 -37.15 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.0 p -116.84 -0.71 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER 32.03 53.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.6 ttp -95.12 107.83 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.63 118.08 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -141.77 157.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 38' ' ' LEU . 54.7 m80 -69.72 151.76 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HE2' HD13 ' A' ' 22' ' ' ILE . 12.9 mmtt -56.46 -28.66 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.683 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.4 pt20 -93.23 -15.74 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.13 -19.09 40.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.587 HG11 ' SD ' ' A' ' 46' ' ' MET . 15.2 m -66.45 -19.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.2 tt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.0 m-80 -90.7 -44.04 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 64' ' ' PRO . 88.8 t -44.68 138.71 3.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.7 131.23 20.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' PRO . 86.0 p -36.42 -67.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.3 pp -42.15 159.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 50' ' ' THR . 10.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 33.9 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.994 0.426 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -113.64 169.01 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.643 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 20.3 m-70 -105.39 133.02 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -97.12 49.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 29.8 m-85 -67.11 116.76 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.93 116.47 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 22' ' ' ILE . 9.9 tp -57.67 108.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -141.75 162.99 34.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 p -82.64 153.59 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.39 143.26 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.42 35.03 4.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 p -169.78 155.0 5.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 107.93 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 HD12 ' A' ' 38' ' ' LEU . 9.6 t -123.51 159.5 28.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 92.6 m-85 -119.92 133.76 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -43.75 160.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.14 -28.41 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 51.1 t60 -78.63 -68.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.95 -38.19 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 66.64 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -141.95 149.64 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.46 126.08 20.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 29' ' ' THR . 95.2 mt -90.68 111.1 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -112.12 178.44 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 44' ' ' GLN . . . 125.51 148.34 7.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -52.0 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.7 tt -130.28 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.683 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.1 m170 46.4 48.14 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 67.9 mt-30 -57.7 -46.82 83.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -151.48 -163.88 11.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 8.9 mtp -126.22 131.43 51.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.66 129.86 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 t -74.52 166.9 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -111.61 -22.31 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.24 -39.52 10.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 53' ' ' MET . 17.4 p -113.93 -11.01 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 57.47 38.57 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.426 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.4 ttm -81.23 139.58 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.8 108.52 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.41 150.37 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.646 ' NE2' HD23 ' A' ' 38' ' ' LEU . 65.3 m80 -59.56 146.73 39.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -47.05 -28.13 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 61' ' ' ILE . 10.8 pt20 -93.44 -31.8 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.415 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 1.3 m -61.36 -34.17 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 46' ' ' MET . 29.4 m -45.01 -34.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 58' ' ' GLN . 4.7 tt -64.07 -35.15 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.606 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 1.3 m120 -68.59 -46.11 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.25 139.53 35.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.79 142.25 47.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.38 -51.73 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.779 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -52.1 161.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 10.0 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.5 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.941 0.4 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -42.0 151.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -87.63 142.55 27.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.26 31.27 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 21.7 m-85 -53.46 133.89 40.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -127.83 122.61 33.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.74 ' O ' HG23 ' A' ' 22' ' ' ILE . 10.5 tp -57.35 105.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -137.05 162.91 32.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.47 152.41 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.3 m-85 -111.71 128.53 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.12 -7.05 84.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 p -141.05 158.64 64.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.682 0.753 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.605 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -100.16 156.19 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' HD23 ' A' ' 37' ' ' LEU . 52.9 m-85 -108.96 130.21 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 49.4 t -51.34 158.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -105.11 -30.25 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 79.2 t60 -71.43 -67.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -80.92 -41.02 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.23 58.93 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.2 p -141.94 150.22 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -56.01 128.78 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD23 ' NE2' ' A' ' 56' ' ' HIS . 64.6 mt -78.09 117.13 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' A' ' 37' ' ' LEU . 35.7 m-85 -109.38 134.59 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 152.49 148.09 4.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.48 -48.26 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.451 HG13 ' CG ' ' A' ' 43' ' ' HIS . 3.8 tp -125.66 138.26 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.451 ' CG ' HG13 ' A' ' 42' ' ' ILE . 21.3 m80 54.82 52.65 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 40.9 mt-30 -63.12 -61.26 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.66 -156.35 7.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HG11 ' A' ' 60' ' ' VAL . 22.7 mtp -126.77 149.31 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 124.16 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 t -74.48 165.16 25.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.76 -13.23 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 51' ' ' CYS . 10.2 t -110.59 -50.51 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 50' ' ' THR . 15.3 p -97.74 -5.01 35.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 9.1 p-10 35.11 54.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.406 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.0 ttp -93.51 135.22 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.71 105.1 17.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.09 163.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.628 ' NE2' HD23 ' A' ' 38' ' ' LEU . 62.1 m80 -68.69 151.86 46.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.566 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.7 tmtt? -59.21 -26.52 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.677 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -91.54 -32.5 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.01 -33.57 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.1 m -51.29 -24.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 58' ' ' GLN . 10.0 tt -71.55 -28.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 66.4 m-80 -90.37 -37.19 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 64' ' ' PRO . 89.8 t -55.23 135.57 68.75 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.64 0.733 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.77 148.89 66.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -83.03 18.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 2.0 mm? -84.69 28.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.503 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 50.3 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 17' ' ' LYS . 16.1 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.942 0.401 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' SER . 13.4 mmmt -33.74 143.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 34.9 m-70 -83.27 134.35 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -87.49 33.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 27.5 m-85 -54.29 121.21 7.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -118.57 122.88 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.6 tp -59.15 110.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 154.8 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 43' ' ' HIS . 76.9 p -82.62 157.03 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -122.41 152.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.91 -7.83 52.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.0 m -134.48 155.89 79.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 93.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.228 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.584 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -89.34 150.03 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.922 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 48.6 m-85 -107.73 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -47.73 160.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -103.5 -38.58 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -68.32 -66.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.11 -36.02 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.59 -22.63 38.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 m -47.15 149.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.922 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -75.41 135.34 40.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.861 HD23 ' CD2' ' A' ' 56' ' ' HIS . 19.6 mt -83.28 111.62 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.6 142.63 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.6 165.3 14.14 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.0 mm? -88.82 -41.98 12.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.8 tt -138.23 150.97 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.7 m170 51.85 44.03 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.29 -51.84 68.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.04 -172.6 17.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.596 ' SD ' HG11 ' A' ' 60' ' ' VAL . 37.4 mtp -120.13 154.33 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -133.95 121.34 21.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.4 t -63.58 168.7 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -104.05 -22.54 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -102.51 -37.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -114.52 -2.91 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.508 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 5.7 p-10 30.92 54.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.447 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.5 ttp -89.75 136.24 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.63 120.82 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -152.3 166.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.861 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.8 m80 -74.78 150.49 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.2 tmtt? -58.4 -27.04 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.708 ' O ' HG22 ' A' ' 61' ' ' ILE . 23.0 pt20 -93.42 -25.81 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 m -70.06 -30.14 67.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.596 HG11 ' SD ' ' A' ' 46' ' ' MET . 25.2 m -46.88 -38.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.5 tt -64.64 -30.37 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.707 ' ND2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.57 -43.48 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.64 129.59 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 128.69 16.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 p -37.78 -26.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -43.91 106.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 t 56.31 41.93 28.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.813 0.34 . . . . 0.0 110.811 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.7 m -143.69 140.21 29.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.67 62.38 0.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -123.46 102.11 7.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -172.51 159.12 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 136.51 3.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.24 63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 144.41 54.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -155.05 142.14 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -167.67 161.26 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -61.65 178.29 0.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 17.8 m-20 -110.94 91.68 13.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 53.8 Cg_endo -69.76 -16.94 37.79 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.37 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -72.89 -45.45 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p -62.26 -32.35 73.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -43.64 150.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 31.4 m-70 -85.15 138.29 32.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -97.75 39.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 28.5 m-85 -57.08 134.57 55.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -129.61 125.58 36.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.645 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.8 tp -59.59 116.62 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 24' ' ' THR . 11.2 t-160 -145.08 163.05 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.482 ' H ' ' CD2' ' A' ' 23' ' ' HIS . 80.1 p -95.42 159.11 15.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.3 m-85 -121.98 156.33 33.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -104.28 -17.84 14.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -122.69 160.77 47.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.713 0.768 . . . . 0.0 110.786 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.28 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.676 2.25 . . . . 0.0 112.379 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.75 156.09 16.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.658 ' CE2' HD23 ' A' ' 37' ' ' LEU . 90.3 m-85 -116.58 136.66 52.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 39.0 t -47.6 159.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -101.19 -28.99 12.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -77.85 -71.25 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.4 p -79.84 -36.27 37.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.4 63.99 1.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 37' ' ' LEU . 70.9 m -140.06 138.26 35.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD13 ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -37.33 135.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' A' ' 56' ' ' HIS . 15.4 mt -102.83 99.35 9.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -97.35 172.63 7.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 128.95 153.12 7.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -91.89 -50.05 5.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.783 0.325 . . . . 0.0 110.919 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 tt -128.51 129.69 68.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 22' ' ' ILE . 29.4 m170 65.95 45.61 2.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 54.3 mt-30 -56.02 -60.88 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.553 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.4 -160.42 8.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.0 mtp -128.49 148.65 50.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -134.8 127.38 30.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 3.6 t -67.51 165.55 16.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -105.0 -13.77 15.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.471 ' CG2' ' SG ' ' A' ' 67' ' ' CYS . 3.0 t -106.8 -43.73 4.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 52' ' ' ASP . 21.3 p -108.97 2.8 21.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.467 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.1 m-20 33.14 54.8 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.9 ttp -98.26 116.36 30.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -79.01 120.6 23.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -146.82 151.91 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.781 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.4 m80 -59.45 156.0 13.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.637 ' O ' HG22 ' A' ' 60' ' ' VAL . 27.7 tttt -62.51 -29.14 70.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -92.71 -10.69 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 m -87.75 -24.38 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 57' ' ' LYS . 3.5 m -57.24 -33.93 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 tt -71.09 -28.34 32.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -83.59 -37.56 22.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 59' ' ' CYS . 94.4 t -53.95 135.41 57.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.536 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.1 Cg_endo -69.73 119.98 6.84 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.718 2.279 . . . . 0.0 112.378 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 64' ' ' PRO . 76.9 p -36.17 -31.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' PRO . 1.5 mm? -39.11 101.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.471 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 26.3 t -133.03 139.77 47.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 51.15 0.66 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.26 137.55 44.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -103.9 43.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -114.66 44.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.0 m -140.51 147.74 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -124.45 -15.29 6.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 tptt -84.75 146.3 27.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -154.09 114.69 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.4 -176.74 29.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.63 153.65 41.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 78' ' ' ILE . 5.2 mp -108.39 141.17 24.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -110.35 175.52 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.9 mt -145.13 153.41 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -114.66 167.37 10.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -124.09 174.64 7.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.138 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -155.49 175.24 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.4 p -154.1 150.71 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m 46.84 41.78 11.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.793 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 t 39.11 43.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.44 139.0 29.8 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 m -161.12 174.94 12.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 t -145.32 149.42 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.15 -171.11 12.86 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 57.21 79.1 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.439 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.1 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -142.22 132.5 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 p -104.78 -175.01 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -104.15 165.23 11.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.39 66.2 4.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.581 0.705 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 0.73 5.19 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 35.1 mmt-85 -66.9 -41.88 86.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.5 m -92.85 38.65 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.28 159.68 15.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 32.9 m-70 -99.35 140.94 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 52.4 mttt -110.15 34.46 3.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -46.65 109.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -109.79 127.4 54.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.644 HD13 ' HE2' ' A' ' 57' ' ' LYS . 7.1 tp -59.74 118.77 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -143.15 162.42 35.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.689 HG23 ' HA ' ' A' ' 42' ' ' ILE . 7.5 m -95.24 140.55 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 3.6 m-85 -106.48 113.41 26.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.1 -11.11 17.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.5 p -136.46 154.78 77.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.742 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.5 Cg_endo -69.75 98.2 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.359 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.463 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.9 158.46 15.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.719 ' CE1' HD23 ' A' ' 37' ' ' LEU . 47.0 m-85 -107.84 130.85 54.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 48.7 t -47.57 156.25 0.31 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.72 -25.48 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -78.19 -71.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.2 p -79.77 -47.33 15.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.88 58.71 1.03 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 37' ' ' LEU . 44.0 m -138.51 126.48 22.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.852 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 30' ' ' PHE . 1.6 tm? -35.53 132.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.669 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.7 mt -84.71 108.29 17.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.73 154.01 22.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.71 154.68 10.16 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -93.89 -45.68 7.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.689 ' HA ' HG23 ' A' ' 24' ' ' THR . 8.9 tt -123.7 142.95 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.408 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.8 m170 54.31 44.8 28.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -60.99 -54.35 46.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.529 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -140.56 -153.75 6.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.4 mtp -126.82 142.57 51.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -129.44 125.69 37.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.572 ' SG ' HG22 ' A' ' 50' ' ' THR . 10.0 t -65.66 165.45 12.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -108.32 -12.84 15.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.572 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.8 t -107.87 -37.58 6.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 14.1 p -114.57 -5.54 12.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 39.97 54.56 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 27.1 ttp -101.25 105.75 16.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.442 ' O ' HG13 ' A' ' 55' ' ' VAL . 2.9 m-20 -63.2 129.39 40.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 54' ' ' ASN . 18.6 m -157.25 144.33 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.669 ' CD2' HD23 ' A' ' 38' ' ' LEU . 52.1 m80 -56.96 163.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.644 ' HE2' HD13 ' A' ' 22' ' ' ILE . 25.1 mttm -66.92 -28.85 68.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.63 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.0 pt20 -92.47 -7.97 45.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -85.15 -31.84 23.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 57' ' ' LYS . 32.0 m -55.14 -37.1 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' GLN . 14.3 tt -67.68 -23.42 29.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -84.46 -37.3 21.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 64' ' ' PRO . 97.4 t -60.41 138.62 92.24 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.3 Cg_endo -69.8 137.59 35.7 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.728 2.285 . . . . 0.0 112.304 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' PRO . 93.4 p -34.05 -45.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.2 mt -47.84 144.85 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 50' ' ' THR . 4.5 t -137.13 156.87 47.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 71.6 37.33 61.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.22 168.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.77 46.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -95.58 -179.96 4.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -141.26 161.84 36.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.36 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.51 171.67 7.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -125.58 168.14 14.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.29 -166.52 0.17 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -119.82 176.91 5.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.3 mp -111.9 147.46 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -125.94 148.97 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 43.5 tp -173.45 158.11 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -141.66 164.11 31.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.98 166.95 23.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -174.45 133.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 8.7 p -174.95 143.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 m -149.42 158.81 44.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -152.24 144.05 23.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 152.42 79.95 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 54.9 p -36.36 136.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -172.18 154.11 3.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.35 -166.94 39.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -129.25 102.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.489 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.2 Cg_endo -69.83 101.84 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.273 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -142.88 146.56 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.6 m -50.7 -41.9 56.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -170.5 121.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.403 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 0.6 OUTLIER -118.36 94.59 47.36 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.838 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.76 -27.24 26.69 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.646 2.23 . . . . 0.0 112.349 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 38.9 mmm-85 -71.49 -49.23 43.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -50.17 -22.03 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' SER . 35.0 mmtm -34.71 147.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -78.42 158.19 28.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.895 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.5 mttt -115.98 33.5 5.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -51.69 126.59 18.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.27 131.23 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.791 HD11 ' HB3' ' A' ' 43' ' ' HIS . 6.7 tp -59.75 114.15 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.97 162.52 33.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.7 m -96.3 145.45 25.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.46 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.1 m-85 -116.26 156.5 26.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.37 -8.1 33.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.7 m -133.65 159.02 74.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.453 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.79 100.02 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.729 2.286 . . . . 0.0 112.297 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.551 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -94.32 156.64 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.796 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 44.5 m-85 -116.73 124.09 48.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.5 t -43.26 159.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -105.79 -29.96 9.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -75.06 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.6 p -83.81 -42.25 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.74 61.4 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.8 m -139.63 133.48 30.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.796 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -42.78 135.26 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.658 ' N ' HD13 ' A' ' 37' ' ' LEU . 82.0 mt -88.28 120.66 29.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -98.62 153.08 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.71 162.25 11.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.76 -45.8 4.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 tt -121.12 142.45 37.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.106 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.791 ' HB3' HD11 ' A' ' 22' ' ' ILE . 24.7 m170 52.41 41.34 30.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -54.98 -53.32 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -145.15 -150.67 5.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.543 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.2 mtp -131.7 153.11 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.33 129.41 27.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.7 t -63.66 165.4 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -99.48 -20.19 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 51' ' ' CYS . 9.8 t -107.83 -49.51 3.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.558 ' N ' HG23 ' A' ' 50' ' ' THR . 3.9 p -95.99 -4.54 43.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.9 p30 32.61 54.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 23.1 ttp -95.29 116.12 28.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -68.63 124.78 24.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.5 m -153.36 155.37 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.571 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.5 m80 -66.63 162.22 21.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' O ' HG22 ' A' ' 60' ' ' VAL . 6.3 mtpm? -65.83 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.936 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.2 pt20 -92.08 -21.18 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -71.75 -26.07 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.5 HG13 ' O ' ' A' ' 56' ' ' HIS . 12.5 m -59.33 -22.87 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.936 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.6 tt -79.02 -21.61 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -98.96 -24.37 14.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 7.4 t -61.5 128.24 89.68 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.488 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.0 Cg_endo -69.76 123.18 9.85 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.307 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 67' ' ' CYS . 80.0 p -37.39 -28.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.1 mm? -40.27 94.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' SER . 48.8 t -131.85 162.12 31.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.0 58.15 5.38 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.4 mmt -110.91 43.88 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.717 0.294 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -62.84 -60.16 3.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -126.51 94.27 4.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -127.8 135.9 50.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -154.7 110.78 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.16 -30.39 2.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -169.74 143.12 2.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.87 135.29 51.91 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -156.83 146.76 20.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 78' ' ' ILE . 3.6 mp -130.31 32.55 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.14 90.0 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.3 mt -123.82 88.19 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 82' ' ' ALA . 30.2 mmtm -70.5 -13.96 62.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 81' ' ' LYS . . . 33.98 43.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 84' ' ' VAL . 12.3 pt-20 -170.23 176.4 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 83' ' ' GLU . 13.0 p -34.22 127.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -174.56 158.81 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -155.21 160.43 40.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 -171.64 42.06 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -136.68 173.55 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.7 p -159.2 146.6 17.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.62 150.36 5.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.16 167.77 25.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.478 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' ASP . 53.2 Cg_endo -69.76 -45.04 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' PRO . 11.1 t70 35.39 46.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 12' ' ' ASP . 27.7 m -148.42 158.62 44.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' N ' HG22 ' A' ' 11' ' ' THR . 26.4 t0 -40.35 161.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -41.56 111.94 0.93 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -6.17 17.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.336 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -87.92 -39.79 14.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 67' ' ' CYS . 74.0 p -60.64 -33.68 73.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.88 149.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 32.1 m-70 -82.74 136.42 34.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -95.75 42.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.37 120.16 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 129.21 55.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 22' ' ' ILE . 6.7 tp -60.23 97.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -134.84 159.79 40.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.2 t -100.62 148.27 25.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.177 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -99.78 150.73 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.94 -4.11 61.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.42 164.61 37.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.654 0.74 . . . . 0.0 110.834 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.75 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.293 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -110.49 153.86 24.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.577 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 8.0 m-85 -116.27 127.27 54.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.5 t -45.53 157.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -104.8 -22.09 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -82.55 -62.19 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 p -84.16 -47.6 10.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.37 51.54 1.12 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -140.86 140.28 34.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.652 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.0 tp -54.52 145.56 18.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD23 ' NE2' ' A' ' 56' ' ' HIS . 12.5 mt -96.57 106.25 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.652 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.2 m-85 -90.02 158.83 17.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.29 146.38 6.75 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.71 -52.94 13.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.7 tt -134.33 154.39 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.643 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.3 m170 55.98 36.55 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -56.75 -43.29 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.562 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -157.29 -140.94 3.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.1 mtp -135.36 146.05 47.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -130.24 129.15 42.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 50' ' ' THR . 4.4 t -73.84 157.7 35.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -103.77 -0.42 29.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.505 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -117.97 -41.46 2.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.9 p -114.09 5.74 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' CYS . 14.9 m-20 32.64 52.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 20.2 ttp -99.35 109.81 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -76.28 128.38 34.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.6 m -151.17 160.62 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.588 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.7 m80 -70.56 150.83 45.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.67 ' O ' HG22 ' A' ' 60' ' ' VAL . 1.1 mmmp? -56.24 -30.25 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.612 ' O ' HG22 ' A' ' 61' ' ' ILE . 16.9 pt20 -91.45 -9.5 44.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -87.68 -18.3 29.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.6 m -72.2 -24.59 22.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.144 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -70.11 -22.31 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.38 -45.75 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.689 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.2 139.64 34.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.689 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 124.66 11.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' PRO . 47.1 p -33.19 -59.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.824 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -36.97 155.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.782 ' N ' HD12 ' A' ' 66' ' ' LEU . 10.9 t -156.13 161.84 40.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.476 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 84.48 65.68 1.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 mmt -99.73 -33.05 10.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -106.41 160.71 15.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 70.1 m80 56.78 51.48 10.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.0 m -77.8 136.18 38.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -61.62 110.13 1.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -41.1 128.23 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -133.31 162.18 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -50.89 103.51 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -174.91 150.38 1.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.481 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.7 mp -128.12 140.05 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -88.02 129.82 35.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.2 tp -83.68 144.17 29.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.8 tptp -104.49 128.25 52.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.59 165.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -138.19 178.17 7.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.2 t -91.04 150.21 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.075 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -157.11 144.37 18.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.368 . . . . 0.0 110.809 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -67.6 -59.2 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.47 -111.82 1.02 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.461 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -110.91 -49.17 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.812 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m 61.07 41.84 13.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.55 -141.74 8.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.483 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.31 -81.15 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.467 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 152.97 69.45 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -123.37 111.72 16.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.5 p -107.52 86.92 2.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.77 -23.75 16.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -134.58 67.97 71.9 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.612 0.72 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -10.92 29.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.248 . . . . 0.0 112.325 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -60.79 -38.91 86.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 65' ' ' SER . 59.7 p -94.77 -23.0 17.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -50.17 149.29 2.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -90.94 133.23 35.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.9 34.03 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -51.12 117.64 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -117.24 126.29 52.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.838 HD11 ' HB3' ' A' ' 43' ' ' HIS . 10.0 tp -60.66 110.62 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -144.41 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.4 p -87.73 159.37 18.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -119.49 126.69 51.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.62 -21.09 60.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -137.61 163.02 51.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 110.865 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.578 ' HB2' HD21 ' A' ' 37' ' ' LEU . 53.8 Cg_endo -69.7 101.38 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.749 2.299 . . . . 0.0 112.337 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.643 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 149.61 21.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.174 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.731 ' CE2' HD23 ' A' ' 37' ' ' LEU . 24.0 m-85 -100.63 129.3 46.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 44.5 t -50.96 159.42 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -104.64 -32.43 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -66.93 -65.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.7 p -88.36 -45.91 9.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.15 57.62 1.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -135.44 134.85 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.731 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.9 tm? -42.71 126.77 3.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 56' ' ' HIS . 8.6 mt -79.41 112.36 16.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' ' 37' ' ' LEU . 26.2 m-85 -94.25 174.22 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.28 152.72 24.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.55 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.94 -50.49 6.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG12 ' CG ' ' A' ' 43' ' ' HIS . 16.5 tt -117.89 153.08 19.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.838 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.2 m170 47.18 44.29 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 42' ' ' ILE . 2.5 mp0 -60.94 -55.85 28.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.01 -163.07 9.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 mtp -131.91 145.09 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -126.09 139.12 53.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.611 ' SG ' HG22 ' A' ' 50' ' ' THR . 14.9 t -76.32 165.7 24.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -101.97 -0.03 34.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.611 HG22 ' SG ' ' A' ' 48' ' ' CYS . 3.4 t -127.57 -37.18 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -114.3 -1.46 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 51' ' ' CYS . 8.2 m-20 32.19 54.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.401 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.7 ttp -90.68 125.96 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.416 ' ND2' HG21 ' A' ' 29' ' ' THR . 4.8 m120 -80.33 115.45 19.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.1 m -144.39 154.1 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.666 ' CD2' HD23 ' A' ' 38' ' ' LEU . 69.3 m80 -67.64 157.61 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.604 ' O ' HG22 ' A' ' 60' ' ' VAL . 33.4 tttt -60.42 -31.94 70.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.714 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.5 pp0? -92.67 -9.06 42.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.72 -21.68 28.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.8 m -65.82 -31.06 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.714 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.4 tt -67.78 -22.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -93.79 -33.16 13.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 8.0 t -62.67 131.89 94.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.73 . . . . 0.0 111.162 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 151.0 69.0 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.1 m -85.25 21.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' O ' ' CE ' ' A' ' 69' ' ' MET . 1.8 mm? -87.87 28.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.449 ' SG ' HG23 ' A' ' 50' ' ' THR . 49.2 t -41.13 162.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.74 41.38 3.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.462 ' CE ' ' O ' ' A' ' 66' ' ' LEU . 4.6 mtt -115.88 39.15 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -83.09 84.84 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -136.49 105.56 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.4 m -125.33 127.15 46.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -96.47 47.38 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -101.7 46.32 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.85 70.58 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.19 122.52 2.75 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.447 ' C ' HD12 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -160.78 141.84 11.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 110.906 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.3 mp -133.07 135.7 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -139.28 153.86 47.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.08 151.38 21.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 82' ' ' ALA . 20.5 mmmt -120.36 -75.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 81' ' ' LYS . . . -33.88 104.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -133.13 44.12 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 84' ' ' VAL . 6.6 p -117.98 -15.79 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.093 179.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -77.86 -56.3 4.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 m -151.02 165.85 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.87 -147.16 12.18 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.445 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -136.19 167.87 20.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.7 p -136.42 148.08 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.03 -160.53 8.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.436 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.64 142.25 9.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.488 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -46.67 1.13 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -167.19 175.3 7.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 61.2 p -102.5 103.8 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' C ' ' HD3' ' A' ' 14' ' ' PRO . 38.9 t0 -146.85 173.62 12.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -112.79 64.29 0.81 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 12' ' ' ASP . 53.7 Cg_endo -69.79 -7.47 21.15 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.36 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.66 -36.08 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.6 m -87.12 24.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.17 160.03 32.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 67' ' ' CYS . 26.5 m-70 -95.85 142.4 28.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -108.08 40.93 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -56.05 139.21 47.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.464 ' HG2' ' CE1' ' A' ' 23' ' ' HIS . 14.1 ttmt -142.34 133.77 26.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.63 ' O ' HG23 ' A' ' 22' ' ' ILE . 11.0 tp -64.97 114.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.464 ' CE1' ' HG2' ' A' ' 21' ' ' LYS . 15.4 m170 -142.88 161.63 37.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 49.9 m -91.29 138.34 31.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.53 151.56 25.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.05 37.29 3.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -172.17 153.01 2.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.39 3.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.652 2.235 . . . . 0.0 112.376 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.572 HG23 HD12 ' A' ' 38' ' ' LEU . 5.5 t -121.18 150.62 41.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' HD23 ' A' ' 37' ' ' LEU . 42.3 m-85 -110.63 122.57 48.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.484 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.2 t -41.3 155.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -101.44 -27.92 12.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 43.4 t60 -75.61 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.9 p -87.66 -43.19 12.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.02 63.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.1 m -143.73 134.32 24.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.4 tm? -46.61 125.25 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.665 HD23 ' NE2' ' A' ' 56' ' ' HIS . 85.6 mt -86.28 111.17 20.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.52 ' CE2' HD12 ' A' ' 37' ' ' LEU . 58.2 m-85 -95.01 172.82 7.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.94 147.97 8.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 -49.9 6.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.772 0.32 . . . . 0.0 110.938 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.3 tt -125.11 139.04 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.1 m170 57.89 46.13 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 10.6 mp0 -61.39 -61.31 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.4 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -138.92 -161.32 8.7 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.9 mtp -119.36 143.36 47.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -127.48 132.63 49.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.521 ' SG ' HG22 ' A' ' 50' ' ' THR . 6.3 t -72.98 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -106.0 -11.84 16.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.521 HG22 ' SG ' ' A' ' 48' ' ' CYS . 9.8 t -112.47 -30.95 6.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 52' ' ' ASP . 8.3 p -120.47 -2.48 9.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 51' ' ' CYS . 5.6 p-10 34.46 53.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.404 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.1 ttp -97.48 116.77 30.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.535 ' O ' HG13 ' A' ' 55' ' ' VAL . 1.9 m120 -74.14 134.34 42.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 54' ' ' ASN . 20.1 m -159.98 162.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.665 ' NE2' HD23 ' A' ' 38' ' ' LEU . 73.9 m80 -74.38 153.47 39.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.2 OUTLIER -58.82 -29.16 66.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' ILE . 17.4 pt20 -92.04 -8.08 46.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.6 m -86.62 -37.92 17.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 57' ' ' LYS . 16.0 m -50.77 -24.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.65 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.0 tt -74.2 -29.33 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.426 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 54.5 m-80 -81.85 -38.08 25.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.613 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -49.34 137.38 15.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.634 0.73 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.613 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.79 140.91 43.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 p -40.12 -33.7 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 47.8 mt -59.55 158.48 9.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 13.3 t -155.98 162.03 40.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.472 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 62.87 52.38 48.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.485 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 5.2 ttm -91.8 29.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.764 0.316 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -98.58 -53.04 3.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -73.92 93.58 2.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.33 139.86 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -170.88 158.26 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 51.33 53.88 12.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.6 mmm-85 -57.11 -55.65 31.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.56 151.88 5.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.441 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 1.0 OUTLIER -150.36 142.43 24.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.95 139.24 21.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -83.13 178.22 8.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 tp -127.59 136.13 51.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.5 ttmm -123.78 164.97 18.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.78 172.42 12.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.04 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -116.46 157.3 25.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.4 t -140.79 135.6 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.062 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -112.05 42.57 1.74 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.3 m -151.74 162.08 41.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 169.12 38.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -144.26 168.9 18.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -126.1 176.45 7.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.69 126.63 0.83 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.37 70.1 0.21 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 132.04 22.54 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -101.0 136.74 40.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.9 t -98.94 -36.75 9.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -97.56 108.8 21.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -86.42 133.01 41.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.558 0.694 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -16.93 37.99 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -64.44 -39.37 93.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 p -73.57 -43.65 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -38.04 142.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -84.84 140.27 31.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -98.88 36.86 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.596 ' CD2' HG12 ' A' ' 60' ' ' VAL . 25.6 m-85 -55.15 122.26 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 120.86 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.576 HD13 ' CE ' ' A' ' 57' ' ' LYS . 9.4 tp -58.32 122.77 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.155 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 36.7 t60 -143.06 162.87 34.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 m -86.14 131.95 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.453 ' CE1' ' O ' ' A' ' 23' ' ' HIS . 7.3 m-85 -107.71 150.76 26.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -119.41 7.09 12.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.2 p -134.25 161.09 65.8 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.752 . . . . 0.0 110.845 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 54.3 Cg_endo -69.73 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.525 ' CG2' ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -100.7 159.44 15.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -132.26 136.56 47.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.412 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.5 t -56.44 128.05 34.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -73.96 -19.88 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -81.93 -65.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.4 m -76.76 -58.85 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.74 22.7 3.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.0 m -113.35 148.49 35.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 29' ' ' THR . 7.0 tp -57.68 152.24 15.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.478 HD12 ' HB ' ' A' ' 29' ' ' THR . 33.6 mt -100.44 98.97 9.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -174.03 0.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.83 155.05 29.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 tp -95.18 -47.05 6.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.853 0.359 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.554 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -126.66 136.01 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CG ' HD13 ' A' ' 42' ' ' ILE . 15.7 m170 62.1 52.02 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -64.66 -66.31 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.32 -174.38 13.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.727 ' SD ' HG21 ' A' ' 60' ' ' VAL . 7.1 mtp -105.26 138.59 41.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -119.33 123.67 44.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.55 162.53 27.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -106.13 -9.38 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.1 OUTLIER -111.32 -43.03 3.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.4 p -109.65 2.41 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 51' ' ' CYS . 1.9 m-20 33.99 53.16 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 22.9 ttp -100.51 122.81 43.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.525 ' ND2' ' CG2' ' A' ' 29' ' ' THR . 1.8 p30 -87.0 129.26 34.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.411 HG23 HG13 ' A' ' 60' ' ' VAL . 3.2 m -150.74 172.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' CD2' ' A' ' 38' ' ' LEU . 42.9 m80 -76.88 148.03 36.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' CE ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -52.89 -35.28 57.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' HG22 ' A' ' 61' ' ' ILE . 26.8 pt20 -86.8 -7.55 58.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.2 m -89.21 -39.21 13.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.727 HG21 ' SD ' ' A' ' 46' ' ' MET . 2.8 m -48.31 -34.58 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.1 tt -74.12 -25.67 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -87.99 -32.35 18.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.446 HG13 ' HD2' ' A' ' 64' ' ' PRO . 95.4 t -58.96 133.54 87.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.617 0.722 . . . . 0.0 111.131 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 127.93 15.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 67' ' ' CYS . 4.5 t -37.88 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -38.63 95.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' SER . 34.0 t -135.56 151.66 50.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.9 63.18 1.77 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.8 ptp -161.91 170.03 20.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.4 156.6 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.63 153.24 18.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.6 m -121.91 148.63 44.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -173.19 116.77 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.78 -41.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -53.76 115.65 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -169.36 68.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -153.61 154.16 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.29 131.86 71.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -125.09 121.5 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.7 tp -141.85 110.43 6.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.497 ' HE3' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -104.53 14.86 29.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.497 ' N ' ' HE3' ' A' ' 81' ' ' LYS . . . -95.51 138.24 33.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -168.58 114.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.4 p -174.91 150.12 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 m -163.01 128.46 3.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -125.58 166.27 17.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.76 66.77 0.54 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -73.69 83.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -105.27 -60.65 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.95 -177.45 50.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -137.16 97.37 0.25 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 54.3 Cg_endo -69.72 91.09 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.81 138.44 57.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.0 p -117.47 128.57 55.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -122.04 40.69 3.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.508 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 3.2 m-20 56.66 50.09 4.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.76 -15.86 37.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -69.51 -40.66 76.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.2 p -84.15 -29.17 26.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.2 mmtt -42.97 163.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 24.4 m-70 -97.58 137.23 36.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -91.63 37.58 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 19.4 m-85 -57.34 119.19 6.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -116.82 119.59 35.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 22' ' ' ILE . 8.6 tp -60.72 114.03 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -143.32 159.7 41.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.4 p -88.79 155.15 19.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.3 m-85 -120.9 148.91 43.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -101.58 -1.73 53.14 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.408 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 1.7 m -137.17 155.53 75.92 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.698 0.761 . . . . 0.0 110.856 -179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.8 Cg_endo -69.78 98.04 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.69 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -95.97 158.38 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' CE1' HD13 ' A' ' 37' ' ' LEU . 61.3 m-85 -111.51 124.05 51.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 42.3 t -45.57 160.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -105.6 -38.0 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -71.11 -68.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 p -85.72 -35.53 20.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.0 -34.43 5.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.6 m -40.39 150.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.607 HD12 ' O ' ' A' ' 29' ' ' THR . 6.4 tp -73.43 151.86 40.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD12 ' HB ' ' A' ' 29' ' ' THR . 17.5 mt -92.52 108.35 19.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -114.34 163.92 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 128.2 163.59 11.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.1 tt -93.59 -43.3 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 43' ' ' HIS . 3.0 tp -128.56 140.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.463 ' HB3' HD11 ' A' ' 22' ' ' ILE . 27.9 m170 57.8 40.03 26.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -47.87 -61.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -144.19 -174.6 16.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.449 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.497 ' SD ' HG11 ' A' ' 60' ' ' VAL . 11.7 mtp -115.62 145.44 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -131.55 127.49 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 2.5 t -71.23 166.26 21.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -108.98 -20.69 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.21 -36.32 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 10.4 p -113.82 -6.19 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' HD2' ' A' ' 47' ' ' LYS . 4.0 t70 41.3 54.4 3.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.41 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.2 ttp -101.72 132.48 47.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' O ' HG13 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -89.62 130.35 35.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 54' ' ' ASN . 21.8 m -156.91 142.74 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 31' ' ' CYS . 73.3 m80 -60.3 161.98 6.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 60' ' ' VAL . 17.2 mttt -61.83 -31.71 71.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.818 ' O ' HG22 ' A' ' 61' ' ' ILE . 27.9 pt20 -91.45 -8.12 48.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.966 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.4 m -84.77 -25.56 28.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.497 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.7 m -68.31 -26.91 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.818 HG22 ' O ' ' A' ' 58' ' ' GLN . 17.5 tt -66.36 -23.9 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.91 -43.1 12.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.63 HG13 ' HD2' ' A' ' 64' ' ' PRO . 58.5 t -53.43 138.18 49.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.676 0.751 . . . . 0.0 111.102 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.75 164.89 32.83 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.643 2.229 . . . . 0.0 112.377 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -81.61 38.23 0.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.826 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 27.8 mt -124.99 141.26 52.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 26.9 t -152.72 158.89 42.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.39 65.36 0.97 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 16.4 mmt -112.23 123.28 49.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.737 0.303 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -121.7 84.7 2.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -117.35 -53.78 2.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 m -48.47 126.7 11.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -115.12 53.71 0.81 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -85.71 46.26 1.29 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -121.63 136.86 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 77' ' ' ARG . . . 110.03 -111.88 3.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.516 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 76' ' ' GLY . 21.7 tpp180 -34.9 143.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.1 mp -117.55 142.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -114.69 133.92 55.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.2 mp -97.93 147.73 24.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.5 170.01 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.73 176.69 5.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -108.79 159.98 16.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.2 t -110.83 130.65 63.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -155.92 130.17 8.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 110.875 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -104.49 -46.16 4.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.94 -161.23 6.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.0 t 65.6 43.18 3.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -96.94 112.24 24.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.792 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.03 160.13 22.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.26 114.2 1.09 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 111.6 2.85 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.621 2.214 . . . . 0.0 112.36 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.51 100.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.5 p -137.28 116.46 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -115.76 150.16 37.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 7.3 m-20 51.42 52.18 11.45 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 53.7 Cg_endo -69.77 -17.97 37.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -67.33 -41.02 85.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 m -76.32 -36.91 58.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 mtmm -39.8 158.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.441 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 30.1 m-70 -81.65 164.66 21.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -124.83 32.02 5.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 27.3 m-85 -52.11 138.8 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -126.0 122.41 35.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.691 HD13 ' HG3' ' A' ' 57' ' ' LYS . 9.6 tp -60.16 110.7 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.417 ' ND1' ' N ' ' A' ' 24' ' ' THR . 66.4 t-80 -143.9 162.95 34.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 42' ' ' ILE . 24.1 p -88.65 156.91 18.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -121.54 129.88 53.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -83.55 -9.61 83.03 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.443 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -129.62 154.91 80.96 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 97.79 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.695 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -96.89 158.84 15.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -111.65 137.75 49.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 t -58.68 159.49 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.853 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -105.72 -36.28 7.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -71.57 -68.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.6 p -83.89 -36.1 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.25 -30.8 8.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.1 m -47.65 148.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tp -66.75 151.88 46.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 ' HB ' ' A' ' 29' ' ' THR . 15.6 mt -94.72 109.82 21.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -113.77 162.83 15.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.11 149.57 6.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.28 -51.53 10.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.517 HG12 ' CD2' ' A' ' 43' ' ' HIS . 18.5 tt -131.97 139.57 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.517 ' CD2' HG12 ' A' ' 42' ' ' ILE . 26.1 m170 63.66 45.38 4.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -62.56 -74.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -125.3 -170.78 13.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.495 ' HE2' ' N ' ' A' ' 22' ' ' ILE . 19.6 mtp -124.88 152.86 43.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -133.35 130.2 38.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 6.3 t -70.78 167.14 19.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -98.79 -17.68 18.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 51' ' ' CYS . 3.2 t -108.75 -47.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.3 p -102.51 -2.03 29.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 7.3 p-10 32.12 54.94 0.33 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 10.9 ttp -89.72 123.12 33.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -84.13 109.07 17.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 HG12 ' A' ' 60' ' ' VAL . 27.6 m -135.97 146.61 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.537 ' CD2' HD23 ' A' ' 38' ' ' LEU . 39.9 m80 -55.33 137.63 47.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HG3' HD13 ' A' ' 22' ' ' ILE . 9.8 tmtt? -47.22 -25.3 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.92 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.2 pt20 -92.96 -32.68 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.8 m -60.12 -31.04 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.418 HG11 ' SD ' ' A' ' 46' ' ' MET . 4.3 m -53.78 -25.43 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.92 HG22 ' O ' ' A' ' 58' ' ' GLN . 2.3 tp -63.52 -30.68 50.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.647 ' ND2' HG23 ' A' ' 61' ' ' ILE . 30.2 m-80 -96.94 -39.02 9.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -38.05 130.72 0.97 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.162 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 122.25 8.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.346 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 98.2 p -41.75 -23.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -47.29 133.18 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 20.1 t -159.39 152.63 22.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.13 42.88 4.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.8 ptp -149.69 115.17 5.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.34 174.58 6.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -117.85 178.74 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.1 m -72.97 136.77 45.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -77.12 131.61 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 45.75 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -103.37 -39.62 6.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.6 -174.26 15.42 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.95 142.79 27.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.3 mm -136.19 142.73 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -90.72 -174.59 4.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.38 32.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.83 90.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.94 174.64 10.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 84' ' ' VAL . 17.1 mt-10 -164.55 173.34 12.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 84' ' ' VAL . 14.9 p 41.61 35.68 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.057 179.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.7 p -107.29 -48.14 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 0.0 110.885 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m 65.89 42.36 3.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.12 96.62 1.55 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -132.03 129.16 39.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 t -58.78 171.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.26 -155.74 6.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.2 66.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 173.44 10.94 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -98.36 139.44 34.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.5 p -121.4 111.36 17.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -108.4 -65.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -119.23 116.17 33.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' A' ' 17' ' ' LYS . 54.2 Cg_endo -69.73 -10.25 28.13 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.724 2.283 . . . . 0.0 112.379 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -81.26 -34.48 32.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.1 m -93.01 29.98 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 14' ' ' PRO . 35.0 mmtt -76.04 163.38 27.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 61.0 m-70 -106.24 132.02 52.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -98.17 40.24 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 33.2 m-85 -53.91 138.42 36.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -138.58 131.45 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.791 HD13 ' HE2' ' A' ' 57' ' ' LYS . 8.4 tp -59.24 108.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' CD2' ' HB3' ' A' ' 47' ' ' LYS . 1.5 p80 -137.51 161.65 35.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.6 p -91.02 155.27 18.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.113 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.3 m-85 -117.28 112.51 20.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -60.26 -11.58 20.62 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.8 p -137.96 155.62 74.54 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.632 0.73 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 99.43 0.74 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.662 2.241 . . . . 0.0 112.379 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.486 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.01 159.36 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.59 ' CE1' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m-85 -110.5 126.6 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 38.5 t -42.9 157.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -106.88 -22.81 12.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -79.78 -60.37 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.62 -40.9 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.68 62.88 1.3 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -140.77 131.25 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 3.2 tm? -39.42 124.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.781 HD23 ' NE2' ' A' ' 56' ' ' HIS . 16.2 mt -80.13 118.1 21.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.441 ' CZ ' HD12 ' A' ' 37' ' ' LEU . 50.1 m-85 -103.36 155.02 18.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.64 153.63 8.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.87 -46.74 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.5 tt -115.87 142.14 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.085 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.712 ' HB3' HD11 ' A' ' 22' ' ' ILE . 32.0 m170 43.34 54.31 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -61.36 -63.34 1.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.569 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -135.45 -153.29 6.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.431 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.692 ' SD ' HG11 ' A' ' 60' ' ' VAL . 19.1 mtp -127.43 146.16 50.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.499 ' HB3' ' CD2' ' A' ' 23' ' ' HIS . 13.9 ttmm -133.26 128.52 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -64.16 165.34 9.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -102.23 -11.38 18.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.7 t -112.09 -49.14 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.53 ' N ' HG23 ' A' ' 50' ' ' THR . 19.9 p -100.59 -1.33 35.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 51' ' ' CYS . 68.5 m-20 34.31 54.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.4 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 25.3 ttp -90.86 119.24 30.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 54' ' ' ASN . 1.2 p30 -77.31 118.65 20.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -144.78 170.47 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.781 ' NE2' HD23 ' A' ' 38' ' ' LEU . 38.3 m80 -81.6 160.75 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.791 ' HE2' HD13 ' A' ' 22' ' ' ILE . 6.8 tptp -61.95 -36.23 80.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.803 ' O ' HG22 ' A' ' 61' ' ' ILE . 9.5 pm0 -88.36 -10.54 49.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.8 m -83.23 -30.25 27.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.692 HG11 ' SD ' ' A' ' 46' ' ' MET . 11.5 m -58.67 -24.61 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.803 HG22 ' O ' ' A' ' 58' ' ' GLN . 12.0 tt -81.05 -20.55 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -95.09 -25.01 16.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 59' ' ' CYS . 61.5 t -60.97 133.49 92.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.666 0.746 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.79 166.89 26.11 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.725 2.283 . . . . 0.0 112.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -82.75 37.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -103.43 86.66 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 47.8 t -124.15 147.52 47.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.9 54.57 2.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 26.9 mmt -99.98 174.93 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -67.45 170.0 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -75.98 145.7 40.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 59.9 m -124.1 139.44 53.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 58.84 42.32 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 tmtt? -74.97 132.74 41.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -68.16 96.06 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.14 -63.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 15.2 tpt180 -92.37 148.1 22.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 33.5 mt -135.95 144.71 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -121.13 99.77 6.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.2 mt -51.34 107.77 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -141.76 116.8 9.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' C ' ' CD ' ' A' ' 83' ' ' GLU . . . -137.81 158.51 44.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.479 ' CD ' ' C ' ' A' ' 82' ' ' ALA . 23.1 mp0 -154.79 124.84 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.2 t -135.65 113.5 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.891 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 t -168.53 157.05 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.904 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -169.92 176.67 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.01 156.01 25.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 p -170.5 128.45 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -155.94 143.07 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.72 61.4 0.27 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.54 63.37 3.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 150.13 68.24 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -169.48 143.28 2.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 72.4 p -143.63 149.26 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -39.67 158.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -109.53 86.24 4.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.589 0.709 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 2.19 3.7 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.706 2.27 . . . . 0.0 112.344 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -78.88 -32.91 46.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.9 m -76.21 -39.39 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -40.72 158.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.532 ' CD2' ' O ' ' A' ' 66' ' ' LEU . 18.7 m-70 -95.44 148.86 22.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -102.8 22.02 14.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -41.42 123.73 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.48 129.8 56.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.698 ' O ' HG23 ' A' ' 22' ' ' ILE . 6.8 tp -64.26 99.53 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -145.79 144.2 30.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.476 ' HB ' ' N ' ' A' ' 43' ' ' HIS . 7.4 t -88.42 149.85 23.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 3.8 m-85 -100.78 149.03 24.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.38 -4.7 64.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 p -132.33 157.76 77.43 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 101.0 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.67 2.247 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.415 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -105.21 154.03 20.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 37' ' ' LEU . 50.6 m-85 -107.4 120.72 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.829 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 37.6 t -41.05 160.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.86 -27.04 12.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 47.2 t60 -81.24 -73.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.4 p -72.34 -46.75 54.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.12 31.36 5.36 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -114.96 137.02 52.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.92 0.39 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 3.6 tp -50.49 150.06 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.415 HD12 ' HB ' ' A' ' 29' ' ' THR . 9.3 mt -102.33 124.75 48.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -115.77 160.95 19.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 129.5 160.2 10.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.72 -46.38 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG13 ' CG ' ' A' ' 43' ' ' HIS . 10.4 tp -128.42 153.57 38.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.552 ' HB3' HD11 ' A' ' 22' ' ' ILE . 8.7 m80 44.2 49.99 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -64.19 -63.99 1.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -133.1 -151.04 6.51 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.459 ' HG3' HG11 ' A' ' 60' ' ' VAL . 29.3 mmm -135.51 132.66 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -119.53 122.72 42.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.621 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.5 t -64.26 165.87 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -107.21 -4.32 18.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.621 HG22 ' SG ' ' A' ' 48' ' ' CYS . 2.5 t -119.03 -37.79 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.8 p -116.33 0.3 12.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.4 OUTLIER 33.08 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.403 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 22.0 ttp -94.86 113.08 24.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -74.38 125.51 28.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.2 m -154.68 138.16 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.404 ' NE2' HD23 ' A' ' 38' ' ' LEU . 68.6 m80 -43.31 153.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.91 -29.2 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.819 ' O ' HG22 ' A' ' 61' ' ' ILE . 15.5 pm0 -92.68 -16.0 26.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.46 -31.16 62.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 46' ' ' MET . 10.7 m -53.67 -22.91 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.819 HG22 ' O ' ' A' ' 58' ' ' GLN . 6.8 tt -72.54 -25.74 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 22.9 m-80 -86.46 -39.77 15.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.593 HG13 ' HD2' ' A' ' 64' ' ' PRO . 62.1 t -52.98 137.88 45.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.636 0.731 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.73 129.76 18.2 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.358 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 64' ' ' PRO . 64.1 m -33.71 -37.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 24.9 mt -53.61 163.21 0.69 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 68' ' ' GLY . 12.8 t -154.86 159.6 40.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.435 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 63.64 38.76 96.73 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.8 tpp -55.28 -30.03 59.32 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -90.3 168.73 11.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -81.48 145.97 30.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.3 t -121.77 140.36 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -91.07 -59.88 2.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -46.98 -40.16 13.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' N ' ' HD2' ' A' ' 74' ' ' LYS . 59.9 ttt180 32.54 45.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.07 -168.05 39.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 78' ' ' ILE . 19.4 tpt85 -171.85 144.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.766 0.317 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 11.9 mm -110.36 135.74 48.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -115.43 176.63 4.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -141.35 136.53 31.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -114.98 127.99 56.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.12 148.0 25.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -120.55 124.45 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 7.3 p -106.0 140.33 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.864 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -160.44 177.32 10.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.828 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.1 m -131.26 176.63 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.1 150.43 9.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.523 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -111.96 174.74 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -118.5 -58.71 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -158.41 31.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.416 ' HA3' ' HD2' ' A' ' 9' ' ' PRO . . . -159.78 -139.89 2.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD2' ' HA3' ' A' ' 8' ' ' GLY . 53.8 Cg_endo -69.74 137.1 34.71 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -122.78 -45.99 2.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 t -111.57 127.66 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.94 171.35 15.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -165.05 123.92 1.19 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -16.84 38.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.2 mmt-85 -71.99 -48.98 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.419 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 52.0 p -84.99 -20.41 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -46.23 147.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.463 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 24.7 m-70 -78.16 172.08 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mmtt -133.9 43.22 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -64.3 140.47 58.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.98 124.46 20.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.7 ' O ' HG23 ' A' ' 22' ' ' ILE . 9.6 tp -57.53 107.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -140.78 161.11 38.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.0 m -98.31 144.68 27.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -104.99 161.82 13.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.58 -13.15 24.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.419 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 1.3 p -131.77 160.43 67.57 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.653 0.74 . . . . 0.0 110.836 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 27' ' ' SER . 53.7 Cg_endo -69.73 102.94 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.535 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -101.02 156.41 17.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' CE1' HD13 ' A' ' 37' ' ' LEU . 56.1 m-85 -110.17 134.97 51.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.17 155.31 37.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -103.92 -32.05 9.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -66.18 -68.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 31.1 p -84.6 -42.52 15.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.35 26.63 6.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -111.32 141.1 45.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD13 ' CE1' ' A' ' 30' ' ' PHE . 5.2 tp -52.84 150.23 5.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.535 HD12 ' HB ' ' A' ' 29' ' ' THR . 44.2 mt -98.27 93.46 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -89.29 164.48 14.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' C ' HD22 ' A' ' 41' ' ' LEU . . . 134.06 161.49 9.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.447 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.677 HD22 ' N ' ' A' ' 41' ' ' LEU . 1.2 mm? -99.82 -45.99 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.749 0.309 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.578 HD13 ' CG ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -128.76 129.22 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.073 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.578 ' CG ' HD13 ' A' ' 42' ' ' ILE . 42.7 m170 58.92 54.36 5.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -55.3 -69.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.58 -160.78 10.13 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.4 mtp -113.67 153.79 28.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.771 0.32 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -134.77 132.0 38.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' HG22 ' A' ' 50' ' ' THR . 12.4 t -78.22 165.15 24.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -107.95 -8.46 15.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.493 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.9 OUTLIER -113.66 -42.29 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.462 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -109.59 7.58 24.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 51' ' ' CYS . 3.9 p-10 33.06 42.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.829 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 54' ' ' ASN . 3.4 ttm -77.68 149.59 34.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' HG2' ' A' ' 53' ' ' MET . 0.6 OUTLIER -118.51 107.03 13.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 HG13 ' A' ' 60' ' ' VAL . 15.4 m -134.94 170.39 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -80.23 162.38 24.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' O ' HG22 ' A' ' 60' ' ' VAL . 39.1 tttm -58.82 -35.74 73.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.465 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.9 pt20 -88.96 -6.4 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.95 -38.17 16.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 57' ' ' LYS . 15.7 m -55.31 -40.81 58.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -55.44 -34.59 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -80.08 -44.85 19.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.0 t -42.45 140.22 1.75 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 111.111 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.8 Cg_endo -69.69 118.36 5.64 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.499 ' C ' ' O ' ' A' ' 64' ' ' PRO . 6.9 t -30.4 -51.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.788 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -46.76 152.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.718 ' N ' HD12 ' A' ' 66' ' ' LEU . 29.5 t -163.78 149.32 11.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.429 ' C ' ' SD ' ' A' ' 69' ' ' MET . . . 123.23 62.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.486 ' N ' ' SD ' ' A' ' 69' ' ' MET . 0.8 OUTLIER -175.09 136.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -173.72 129.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -42.34 -64.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.5 m -97.63 141.58 30.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -111.92 -26.77 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -155.88 161.1 40.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -111.77 135.45 52.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -164.16 179.29 39.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -99.44 120.47 39.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.889 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 80' ' ' LEU . 5.2 mp -102.3 134.67 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 80' ' ' LEU . 81.3 m-85 -104.14 44.53 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' H ' HG22 ' A' ' 78' ' ' ILE . 21.3 tp 37.33 43.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.65 100.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.26 170.0 8.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -141.2 178.29 7.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 84' ' ' VAL . 9.3 p 37.4 35.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 p -133.76 167.53 20.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.859 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -64.62 -49.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.28 -139.5 6.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -127.42 -44.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t 38.78 41.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.823 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 101.11 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.85 151.61 17.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.46 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 146.26 59.88 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.301 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -52.47 141.43 20.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 11' ' ' THR . 10.3 t -88.76 85.1 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -101.93 -15.45 16.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 6.1 m-20 61.11 54.02 3.0 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 54.0 Cg_endo -69.83 0.84 5.12 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.681 2.254 . . . . 0.0 112.336 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -68.34 -40.74 81.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 17' ' ' LYS . 58.8 m -97.28 -35.16 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 16' ' ' SER . 58.6 mmtt -36.91 153.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 -88.91 160.31 17.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -114.15 23.48 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 26.0 m-85 -43.09 135.68 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.37 122.73 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.77 HD11 ' HB3' ' A' ' 43' ' ' HIS . 9.3 tp -59.13 120.59 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.408 ' O ' ' CE1' ' A' ' 25' ' ' TYR . 11.2 m170 -144.23 158.51 43.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.6 m -93.17 131.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.501 ' O ' ' NE2' ' A' ' 44' ' ' GLN . 5.6 m-85 -113.83 149.01 35.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.21 15.87 58.66 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.415 ' HB3' ' HD2' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -143.76 158.53 56.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 27' ' ' SER . 53.6 Cg_endo -69.75 97.58 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.342 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.858 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -86.89 138.5 31.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -104.93 128.5 53.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 6.8 t -53.01 159.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -107.21 -31.34 8.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -77.09 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -79.86 -33.97 39.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.69 -28.32 16.38 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.548 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 m -52.99 152.29 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 38' ' ' LEU . 5.3 tp -70.64 153.13 43.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.858 HD12 ' HB ' ' A' ' 29' ' ' THR . 37.3 mt -94.44 91.22 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -72.15 179.0 3.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' LEU . . . 81.63 77.85 1.01 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.479 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' GLY . 3.0 mp -30.3 -49.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 tp -89.6 125.37 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.77 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.2 m80 56.89 43.92 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' A' ' 25' ' ' TYR . 65.7 mt-30 -47.95 -60.65 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.542 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -146.51 -150.86 5.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.493 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.928 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.6 mtp -128.6 155.88 44.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -136.87 130.12 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 7.3 t -71.58 165.29 24.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -104.9 -17.76 14.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.574 HG23 ' SG ' ' A' ' 67' ' ' CYS . 0.6 OUTLIER -105.39 -39.97 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 52' ' ' ASP . 11.2 p -112.7 -2.42 14.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 1.3 m-20 33.92 54.88 0.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 31.2 ttp -95.79 116.61 29.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 13.3 m120 -71.21 130.43 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 54' ' ' ASN . 34.4 m -159.78 144.36 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.598 ' HA ' HD22 ' A' ' 38' ' ' LEU . 48.5 m80 -46.97 175.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.551 ' O ' HG22 ' A' ' 60' ' ' VAL . 46.9 tttm -78.01 -33.64 51.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.641 ' O ' HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -89.38 -33.13 16.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.9 m -57.29 -19.54 22.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.928 HG11 ' SD ' ' A' ' 46' ' ' MET . 18.1 m -62.75 -20.1 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 58' ' ' GLN . 16.2 tt -80.93 -22.09 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 59' ' ' CYS . 0.1 OUTLIER -102.56 -26.32 13.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 59' ' ' CYS . 10.1 t -49.71 131.32 20.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.711 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 114.16 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.325 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 67' ' ' CYS . 39.8 m -39.07 -27.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' CD2' ' H ' ' A' ' 66' ' ' LEU . 3.1 mm? -38.64 94.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.946 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 50' ' ' THR . 31.9 t -131.76 164.91 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.7 53.82 29.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.6 mmt -104.92 139.12 40.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -120.04 172.64 7.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -71.52 173.82 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 40.8 m -89.58 146.15 24.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 43.89 50.01 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -91.61 92.92 8.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 62.84 39.95 10.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 154.13 -163.48 31.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.686 ' O ' HD13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -172.15 147.3 2.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.854 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 77' ' ' ARG . 35.2 mm -135.04 34.97 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE2' ' HG3' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -79.68 13.55 2.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.14 158.59 15.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -49.83 174.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.78 96.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -147.45 135.43 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 84' ' ' VAL . 30.1 m -73.49 122.32 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -158.5 147.71 19.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t 41.16 47.45 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.6 -163.3 14.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -149.84 121.82 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.4 p -49.61 179.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.813 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.94 91.99 0.16 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -162.57 124.25 1.27 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 178.2 4.81 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -108.29 159.79 16.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.3 m -124.68 -45.48 1.91 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -88.09 158.89 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -120.64 108.37 37.4 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.576 0.703 . . . . 0.0 110.884 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 54.3 Cg_endo -69.71 -1.79 9.03 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.638 2.225 . . . . 0.0 112.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -74.34 -43.79 55.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 67' ' ' CYS . 59.3 p -93.42 -27.68 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 14' ' ' PRO . 3.1 mmmp? -44.47 151.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 26.4 m-70 -81.15 150.29 28.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -112.99 35.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 24.3 m-85 -52.3 146.85 8.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.847 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -145.43 131.26 19.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 22' ' ' ILE . 6.6 tp -61.5 100.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -140.27 149.61 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -87.34 147.11 25.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -99.18 151.04 21.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.5 -13.08 80.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -141.65 163.37 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.661 0.743 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 99.1 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.304 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 ' ND2' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -98.0 158.99 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.933 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 23.4 m-85 -111.88 126.51 55.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 29.6 t -43.56 160.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -109.06 -20.93 12.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 16.2 t60 -84.98 -67.23 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.8 p -81.66 -44.94 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.05 62.09 1.02 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.2 m -139.91 144.27 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.381 . . . . 0.0 110.8 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.933 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -57.3 127.84 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' N ' HD13 ' A' ' 37' ' ' LEU . 14.6 mt -78.53 125.15 28.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.54 168.85 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.32 150.81 13.82 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -80.45 -50.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.902 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.0 tt -133.59 154.2 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' HB3' HD11 ' A' ' 22' ' ' ILE . 47.1 m170 56.85 36.28 27.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -54.13 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.571 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -133.0 -138.47 4.07 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 mtp -136.73 144.02 43.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -127.37 130.22 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 6.9 t -73.82 165.49 25.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -105.23 -16.09 14.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.42 HG22 ' SG ' ' A' ' 48' ' ' CYS . 1.9 t -106.47 -43.42 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.494 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.6 p -106.73 4.4 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 51' ' ' CYS . 16.7 m-20 29.53 52.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.3 ttp -93.83 133.42 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.728 ' ND2' HG21 ' A' ' 29' ' ' THR . 0.3 OUTLIER -93.02 113.05 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -140.81 155.44 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.65 ' NE2' HD23 ' A' ' 38' ' ' LEU . 64.9 m80 -69.68 156.23 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.806 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.643 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -60.88 -29.27 69.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.44 -7.39 47.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.2 m -91.96 -17.91 24.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 57' ' ' LYS . 27.1 m -67.34 -29.95 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 tt -65.02 -25.23 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 26.1 m-80 -86.45 -43.27 12.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 64' ' ' PRO . 87.2 t -47.17 138.7 7.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 111.175 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.76 130.38 19.24 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.637 2.224 . . . . 0.0 112.377 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.0 m -34.81 -66.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD12 ' HE3' ' A' ' 69' ' ' MET . 3.4 pp -42.22 157.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.533 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 3.9 t -159.42 161.96 35.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.496 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 92.7 66.49 1.1 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.415 ' HE3' HD12 ' A' ' 66' ' ' LEU . 6.1 ptp -134.77 -38.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 62.31 48.52 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.9 m80 55.8 46.81 21.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.1 t -42.79 144.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -145.74 161.1 40.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -42.91 118.99 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -156.58 121.06 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.86 -177.55 48.14 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -83.62 154.36 23.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.324 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 5.4 mp -120.56 133.66 66.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -158.03 122.3 4.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 mp -88.35 90.2 8.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 6.1 tptm -137.4 166.12 24.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 81' ' ' LYS . . . 68.37 41.69 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -109.18 79.42 1.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 34.0 m -135.0 164.26 34.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.085 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.871 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.9 p -137.47 107.96 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.844 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -107.04 -51.6 2.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.85 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.19 -165.2 13.67 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -165.49 147.83 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -164.91 175.55 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.6 147.14 4.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 160.12 105.23 0.2 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -177.77 2.02 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.79 140.07 49.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.4 m -160.39 126.31 4.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.44 152.3 19.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' N ' ' CD ' ' A' ' 14' ' ' PRO . 6.7 m-20 51.31 52.5 12.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.612 0.72 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 13' ' ' ASP . 54.2 Cg_endo -69.75 -0.59 7.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.358 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.467 ' HD2' ' CE2' ' A' ' 79' ' ' TYR . 31.5 mtm180 -77.86 -30.63 51.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.487 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 5.2 m -74.81 -31.38 61.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' SER . 6.6 mtmp? -35.18 152.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' NE2' ' O ' ' A' ' 66' ' ' LEU . 43.1 m-70 -83.27 133.88 34.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? -86.73 35.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 17.9 m-85 -53.95 134.49 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.69 135.17 34.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.757 HD11 ' HB3' ' A' ' 43' ' ' HIS . 8.6 tp -57.24 110.2 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -138.23 155.81 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.8 m -92.36 132.92 36.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.458 ' CE2' HD13 ' A' ' 38' ' ' LEU . 91.1 m-85 -88.15 128.91 35.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.33 -16.12 80.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.513 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -144.54 156.58 56.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.681 0.753 . . . . 0.0 110.863 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 110.66 2.61 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.636 2.224 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.529 ' CG2' HD12 ' A' ' 38' ' ' LEU . 2.2 t -113.52 157.64 21.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.178 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -97.6 121.65 39.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.7 t -41.85 156.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -99.91 -35.89 9.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -72.6 -72.28 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.3 p -80.56 -35.36 34.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.85 -29.84 10.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 67.5 m -49.18 149.56 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.379 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.862 HD23 ' CE2' ' A' ' 39' ' ' TYR . 5.8 tp -72.79 150.93 42.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 56' ' ' HIS . 77.0 mt -95.02 106.8 18.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.862 ' CE2' HD23 ' A' ' 37' ' ' LEU . 16.0 m-85 -99.73 173.53 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.08 161.01 11.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -95.08 -42.68 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.764 0.316 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.503 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.4 tt -138.86 143.74 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.757 ' HB3' HD11 ' A' ' 22' ' ' ILE . 16.0 m170 52.52 52.05 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -69.12 -57.23 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -137.16 -145.72 5.0 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.558 ' SD ' HG11 ' A' ' 60' ' ' VAL . 21.6 mtp -134.76 154.94 51.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.844 0.354 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 115.91 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.496 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.1 t -55.22 168.63 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -106.55 -28.83 10.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 t -94.94 -39.75 10.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 53' ' ' MET . 5.9 p -109.6 -7.93 15.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 3.4 p30 38.47 54.97 1.86 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.449 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 33.3 ttp -91.96 138.75 31.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.47 117.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.411 HG11 ' CE ' ' A' ' 53' ' ' MET . 35.6 m -147.83 151.49 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.71 ' CD2' HD23 ' A' ' 38' ' ' LEU . 76.9 m80 -62.34 152.97 32.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 60' ' ' VAL . 7.7 mmmt -57.21 -28.15 62.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.453 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -90.21 -35.9 15.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.0 -31.22 62.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.558 HG11 ' SD ' ' A' ' 46' ' ' MET . 6.3 m -53.88 -29.61 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 58' ' ' GLN . 7.2 tt -66.37 -31.07 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -79.34 -43.83 22.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.512 HG13 ' HD2' ' A' ' 64' ' ' PRO . 46.8 t -48.15 136.01 11.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.668 0.747 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.512 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.5 Cg_endo -69.77 144.32 53.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.324 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -68.54 70.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -166.69 153.44 8.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.55 ' N ' HD12 ' A' ' 66' ' ' LEU . 3.8 t -157.88 175.7 13.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.88 58.78 2.75 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.43 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 20.1 mmt -87.33 42.82 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.1 t0 66.13 43.59 2.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.43 ' CE1' ' O ' ' A' ' 69' ' ' MET . 0.7 OUTLIER -109.84 -55.93 2.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 t -43.29 142.9 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -92.46 150.05 21.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 75' ' ' ARG . 6.4 tmtt? 63.85 48.24 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 74' ' ' LYS . 49.5 mtm-85 -34.79 139.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 149.85 113.5 0.65 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -123.84 167.41 14.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.478 HD12 ' N ' ' A' ' 78' ' ' ILE . 4.7 mp -124.38 134.74 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 15' ' ' ARG . 30.4 m-85 -152.14 144.47 24.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.1 tp -159.01 126.11 4.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -148.08 145.05 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.99 145.48 46.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -138.8 140.02 38.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.1 t -135.81 148.16 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.901 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 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 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' SER . 13.3 m -84.69 -60.5 2.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' SER . 86.4 p 34.87 42.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.98 148.11 17.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -121.8 150.9 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -79.28 -59.68 2.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.69 -155.94 22.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.478 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -140.45 108.13 0.56 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.501 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.5 Cg_endo -69.79 134.83 28.87 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -52.5 151.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.821 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -86.19 39.58 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.85 157.3 16.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.862 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 10.6 t70 -104.14 97.19 10.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 110.859 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 53.5 Cg_endo -69.78 -1.05 7.82 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -90.69 -33.8 15.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' CYS . 54.2 p -72.45 -17.69 61.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -50.74 154.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.591 ' HB3' ' CE2' ' A' ' 20' ' ' PHE . 24.1 m-70 -88.67 138.16 31.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -105.41 70.49 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' A' ' 18' ' ' HIS . 44.8 m-85 -85.45 138.39 32.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.62 132.13 38.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.919 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.0 tp -60.37 114.75 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.13 163.12 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 m -102.98 142.93 33.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.435 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 3.7 m-85 -108.75 132.07 54.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -86.8 -2.96 83.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.5 p -133.03 156.25 80.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.443 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.5 Cg_endo -69.71 101.1 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.378 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.464 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -99.47 159.37 15.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -117.98 127.53 53.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 17.2 t -49.02 158.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -107.58 -23.02 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 34.2 t60 -81.37 -63.96 1.29 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.0 p -83.89 -47.51 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.58 30.61 4.27 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.2 m -115.25 143.2 45.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD11 ' HB2' ' A' ' 28' ' ' PRO . 4.9 tp -52.38 150.74 4.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.93 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.774 HD23 ' NE2' ' A' ' 56' ' ' HIS . 72.3 mt -100.77 85.04 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -76.21 172.51 12.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.484 ' O ' ' CG ' ' A' ' 44' ' ' GLN . . . 116.72 140.63 6.82 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.86 -54.8 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.421 HG12 ' CG ' ' A' ' 43' ' ' HIS . 17.9 tt -125.4 149.2 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.919 ' HB3' HD11 ' A' ' 22' ' ' ILE . 20.6 m80 48.48 51.27 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 29.9 mt-30 -61.61 -58.63 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.09 -161.12 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.497 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 mtp -118.76 141.03 49.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -123.07 133.79 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -69.41 165.43 20.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -103.35 -15.87 15.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 51' ' ' CYS . 6.2 t -110.03 -48.63 3.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.517 ' N ' HG23 ' A' ' 50' ' ' THR . 10.2 p -101.97 8.13 41.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 51' ' ' CYS . 23.8 m-20 33.12 46.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.408 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.9 ttm -80.54 124.18 28.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -94.06 100.48 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' A' ' 60' ' ' VAL . 3.2 m -124.24 160.2 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.774 ' NE2' HD23 ' A' ' 38' ' ' LEU . 70.1 m80 -74.38 158.02 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.679 ' HE3' HD13 ' A' ' 22' ' ' ILE . 17.3 mttt -55.34 -33.77 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.49 ' O ' HG22 ' A' ' 61' ' ' ILE . 1.7 pp0? -92.89 -7.57 45.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -92.25 -21.85 20.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.695 HG12 ' CG2' ' A' ' 55' ' ' VAL . 35.0 m -69.88 -28.76 37.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 58' ' ' GLN . 20.5 tt -70.38 -19.5 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 36.9 m-80 -88.71 -42.95 11.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.647 HG13 ' HD2' ' A' ' 64' ' ' PRO . 64.5 t -44.88 138.52 4.11 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 111.101 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.9 Cg_endo -69.81 130.91 20.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.632 2.222 . . . . 0.0 112.382 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 64' ' ' PRO . 34.1 p -32.48 -62.86 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.1 pp -45.63 159.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 6.0 t -156.47 148.86 23.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.84 44.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -118.72 128.22 54.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.65 146.77 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -153.01 121.82 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 t -99.82 140.21 34.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -123.08 134.08 54.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -99.58 97.75 8.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -52.07 144.07 12.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -116.64 -173.55 16.91 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -139.96 147.74 40.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.723 0.297 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.1 mt -134.78 137.72 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 11.6 tp -53.68 150.01 7.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -80.04 119.45 22.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.99 106.7 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -115.35 -5.65 12.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 13.9 p -166.64 144.22 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.089 179.844 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.83 45.82 7.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 m -53.76 -48.38 69.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.06 -107.87 1.12 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 76' ' ' GLY . 32.4 m 56.11 52.18 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.874 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.694 ' H ' HD11 ' A' ' 78' ' ' ILE . 3.4 m -97.05 51.84 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -160.45 -164.54 15.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.522 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.503 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -28.84 136.23 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 129.13 17.03 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -132.49 26.93 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.1 p -130.25 174.33 9.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -150.49 150.1 30.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -168.92 136.16 1.56 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -10.36 28.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 -88.38 -36.54 16.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 59.8 p -83.46 -19.16 36.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -45.47 159.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 67' ' ' CYS . 19.2 m-70 -89.51 149.37 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -111.61 37.37 2.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 22.5 m-85 -54.36 108.42 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -106.0 119.57 39.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.899 HD11 ' HB3' ' A' ' 43' ' ' HIS . 3.1 tp -57.5 118.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -145.85 163.28 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.3 m -95.14 150.68 19.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.6 m-85 -115.23 149.63 37.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -93.26 -13.24 56.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -133.15 162.73 55.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.667 0.746 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 100.69 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.766 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -97.48 148.66 23.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CE2' HD23 ' A' ' 37' ' ' LEU . 28.2 m-85 -105.59 136.38 45.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 18.7 t -54.18 158.03 2.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -108.18 -25.91 10.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 62' ' ' ASN . 29.9 t60 -78.07 -63.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.402 ' SG ' ' N ' ' A' ' 35' ' ' GLY . 24.5 p -85.46 -46.67 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.402 ' N ' ' SG ' ' A' ' 34' ' ' CYS . . . 97.25 63.28 0.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.3 m -144.69 141.13 29.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.614 HD23 ' CE2' ' A' ' 30' ' ' PHE . 1.7 tm? -48.52 129.88 16.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.766 HD12 ' HB ' ' A' ' 29' ' ' THR . 19.3 mt -81.18 111.96 18.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -89.56 162.7 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.406 ' O ' ' CD ' ' A' ' 44' ' ' GLN . . . 109.33 160.2 19.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.468 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.8 mp -105.82 -46.55 4.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.431 HG13 ' CG ' ' A' ' 43' ' ' HIS . 1.7 tp -114.45 136.34 51.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.155 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.899 ' HB3' HD11 ' A' ' 22' ' ' ILE . 23.6 m170 52.02 44.84 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 40' ' ' GLY . 48.5 mt-30 -54.6 -47.13 73.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.732 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -152.32 -151.39 5.64 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.587 ' SD ' HG11 ' A' ' 60' ' ' VAL . 12.5 mtp -125.78 154.96 41.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -138.28 118.91 13.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.59 ' SG ' HG22 ' A' ' 50' ' ' THR . 8.3 t -63.5 165.83 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -106.57 -15.94 14.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.59 HG22 ' SG ' ' A' ' 48' ' ' CYS . 5.9 t -105.32 -37.15 6.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.164 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.0 p -116.84 -0.71 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER 32.03 53.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.409 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 26.6 ttp -95.12 107.83 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -68.63 118.08 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.7 m -141.77 157.41 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.725 ' CD2' HD23 ' A' ' 38' ' ' LEU . 54.7 m80 -69.72 151.76 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HE2' HD13 ' A' ' 22' ' ' ILE . 12.9 mmtt -56.46 -28.66 60.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.683 ' O ' HG22 ' A' ' 61' ' ' ILE . 13.4 pt20 -93.23 -15.74 25.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.7 m -82.13 -19.09 40.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.587 HG11 ' SD ' ' A' ' 46' ' ' MET . 15.2 m -66.45 -19.55 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.683 HG22 ' O ' ' A' ' 58' ' ' GLN . 19.2 tt -75.75 -20.75 15.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.553 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . 38.0 m-80 -90.7 -44.04 9.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.672 HG13 ' HD2' ' A' ' 64' ' ' PRO . 88.8 t -44.68 138.71 3.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.716 . . . . 0.0 111.162 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.672 ' HD2' HG13 ' A' ' 63' ' ' VAL . 54.0 Cg_endo -69.7 131.23 20.89 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 64' ' ' PRO . 86.0 p -36.42 -67.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.4 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 4.3 pp -42.15 159.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.541 ' SG ' HG23 ' A' ' 50' ' ' THR . 10.3 t -160.01 159.84 32.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.438 ' N ' ' SG ' ' A' ' 67' ' ' CYS . . . 102.94 42.83 2.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.7 ptp -173.0 126.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -93.42 31.82 1.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -168.06 123.82 1.02 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.617 HG21 ' NH1' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -68.59 126.45 29.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 74' ' ' LYS . 16.6 mm-40 -164.18 141.35 6.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 73' ' ' GLU . 0.6 OUTLIER 33.94 53.76 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.617 ' NH1' HG21 ' A' ' 72' ' ' THR . 8.2 ptt180 -95.32 -50.76 4.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -152.79 -175.22 24.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.6 ' HB2' ' CD1' ' A' ' 79' ' ' TYR . 19.0 mmm180 -44.75 170.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.694 HD11 ' H ' ' A' ' 6' ' ' SER . 32.4 mm -89.37 66.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.6 ' CD1' ' HB2' ' A' ' 77' ' ' ARG . 1.9 p90 -145.09 119.56 9.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -125.4 128.7 48.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -117.35 122.44 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.94 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.9 119.65 21.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -134.07 156.94 47.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 33.1 m -104.42 149.5 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 p 43.11 42.18 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.377 . . . . 0.0 110.835 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 t -46.56 107.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.34 164.67 30.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -132.15 82.5 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.881 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -137.68 170.31 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.04 78.71 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.12 -102.08 0.58 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.491 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 120.75 7.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.35 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.27 161.07 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.8 m -53.67 -59.73 4.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -51.22 178.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 28.5 t70 -100.74 100.81 13.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.717 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 13' ' ' ASP . 54.1 Cg_endo -69.76 -18.81 36.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.27 . . . . 0.0 112.331 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.5 mmt180 -62.63 -37.49 86.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.501 ' CB ' ' HA ' ' A' ' 66' ' ' LEU . 33.9 m -119.26 85.43 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -113.64 169.01 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.643 ' ND1' ' CZ ' ' A' ' 20' ' ' PHE . 20.3 m-70 -105.39 133.02 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -97.12 49.53 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.643 ' CZ ' ' ND1' ' A' ' 18' ' ' HIS . 29.8 m-85 -67.11 116.76 8.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.93 116.47 29.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 22' ' ' ILE . 9.9 tp -57.67 108.61 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -141.75 162.99 34.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.3 p -82.64 153.59 25.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -115.39 143.26 45.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -115.42 35.03 4.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.9 p -169.78 155.0 5.56 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.812 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 107.93 1.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.669 2.246 . . . . 0.0 112.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.7 HG23 HD12 ' A' ' 38' ' ' LEU . 9.6 t -123.51 159.5 28.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.823 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 92.6 m-85 -119.92 133.76 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.8 t -43.75 160.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -101.14 -28.41 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 62' ' ' ASN . 51.1 t60 -78.63 -68.42 0.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.95 -38.19 25.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.7 66.64 1.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.523 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.0 p -141.95 149.64 40.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.823 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.46 126.08 20.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 29' ' ' THR . 95.2 mt -90.68 111.1 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -112.12 178.44 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 44' ' ' GLN . . . 125.51 148.34 7.21 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.09 -52.0 12.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 43' ' ' HIS . 18.7 tt -130.28 150.54 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.683 ' HB3' HD11 ' A' ' 22' ' ' ILE . 15.1 m170 46.4 48.14 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.426 ' HG2' ' C ' ' A' ' 40' ' ' GLY . 67.9 mt-30 -57.7 -46.82 83.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.457 ' O ' HD12 ' A' ' 22' ' ' ILE . . . -151.48 -163.88 11.75 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.503 ' SD ' HG11 ' A' ' 60' ' ' VAL . 8.9 mtp -126.22 131.43 51.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.66 129.86 56.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 t -74.52 166.9 22.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -111.61 -22.31 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.24 -39.52 10.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 53' ' ' MET . 17.4 p -113.93 -11.01 12.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t70 57.47 38.57 28.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.426 ' HB3' ' SG ' ' A' ' 51' ' ' CYS . 5.4 ttm -81.23 139.58 35.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.8 108.52 18.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.6 m -135.41 150.37 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.646 ' NE2' HD23 ' A' ' 38' ' ' LEU . 65.3 m80 -59.56 146.73 39.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -47.05 -28.13 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.517 ' O ' HG22 ' A' ' 61' ' ' ILE . 10.8 pt20 -93.44 -31.8 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' HA ' ' OD1' ' A' ' 62' ' ' ASN . 1.3 m -61.36 -34.17 74.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG11 ' SD ' ' A' ' 46' ' ' MET . 29.4 m -45.01 -34.8 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.517 HG22 ' O ' ' A' ' 58' ' ' GLN . 4.7 tt -64.07 -35.15 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.606 ' CB ' ' CE1' ' A' ' 33' ' ' HIS . 1.3 m120 -68.59 -46.11 70.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.693 HG13 ' HD2' ' A' ' 64' ' ' PRO . 92.1 t -52.25 139.53 35.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 111.106 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.693 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.6 Cg_endo -69.79 142.25 47.3 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.38 -51.73 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.907 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.779 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -52.1 161.37 0.61 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 18' ' ' HIS . 10.0 t -158.46 151.15 22.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.44 51.4 2.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.424 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.451 ' CE ' HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -121.87 7.17 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -51.11 150.81 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -42.73 -61.56 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.4 m -65.68 147.56 53.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -137.63 162.13 34.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -101.35 175.76 5.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 75' ' ' ARG . 7.4 tmm_? -132.95 141.55 48.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.29 131.64 4.03 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HG2' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -106.7 154.13 21.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.861 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.5 mm -98.72 134.2 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CD2' ' HG2' ' A' ' 77' ' ' ARG . 2.3 p90 -150.97 136.68 18.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 83' ' ' GLU . 9.4 tp -174.66 137.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -125.33 -22.47 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -174.09 105.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.803 ' HB2' HD11 ' A' ' 80' ' ' LEU . 7.8 mt-10 -167.51 -176.92 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 83.9 t -109.29 131.53 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.875 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 62.15 41.93 10.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.863 0.363 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m 45.77 42.09 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 48.65 70.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t -128.29 89.44 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -173.63 127.07 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.11 109.24 2.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.417 ' HA2' ' HD2' ' A' ' 9' ' ' PRO . . . -126.31 96.87 0.48 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA2' ' A' ' 8' ' ' GLY . 53.8 Cg_endo -69.75 -9.43 26.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -106.09 -40.08 5.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -84.47 44.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -164.61 129.15 2.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.98 140.9 35.12 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.579 0.704 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -20.91 34.5 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -72.48 -46.63 53.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.5 p -65.97 -32.24 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -42.0 151.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -87.63 142.55 27.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -99.26 31.27 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 48' ' ' CYS . 21.7 m-85 -53.46 133.89 40.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -127.83 122.61 33.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.74 ' O ' HG23 ' A' ' 22' ' ' ILE . 10.5 tp -57.35 105.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -137.05 162.91 32.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.47 152.41 19.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.3 m-85 -111.71 128.53 56.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.967 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.12 -7.05 84.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 p -141.05 158.64 64.24 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.682 0.753 . . . . 0.0 110.833 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.605 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -100.16 156.19 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.793 ' CE1' HD23 ' A' ' 37' ' ' LEU . 52.9 m-85 -108.96 130.21 55.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 56' ' ' HIS . 49.4 t -51.34 158.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -105.11 -30.25 9.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' A' ' 62' ' ' ASN . 79.2 t60 -71.43 -67.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 32.1 p -80.92 -41.02 23.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.23 58.93 1.51 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.2 p -141.94 150.22 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.793 HD23 ' CE1' ' A' ' 30' ' ' PHE . 2.3 tm? -56.01 128.78 36.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD23 ' NE2' ' A' ' 56' ' ' HIS . 64.6 mt -78.09 117.13 19.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' A' ' 37' ' ' LEU . 35.7 m-85 -109.38 134.59 51.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 44' ' ' GLN . . . 152.49 148.09 4.77 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.48 -48.26 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.451 HG13 ' CG ' ' A' ' 43' ' ' HIS . 3.8 tp -125.66 138.26 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.451 ' CG ' HG13 ' A' ' 42' ' ' ILE . 21.3 m80 54.82 52.65 11.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' HG2' ' CA ' ' A' ' 40' ' ' GLY . 40.9 mt-30 -63.12 -61.26 2.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.66 -156.35 7.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.555 ' SD ' HG11 ' A' ' 60' ' ' VAL . 22.7 mtp -126.77 149.31 49.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.43 124.16 33.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.454 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 1.9 t -74.48 165.16 25.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -102.76 -13.23 17.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 51' ' ' CYS . 10.2 t -110.59 -50.51 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.579 ' N ' HG23 ' A' ' 50' ' ' THR . 15.3 p -97.74 -5.01 35.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 51' ' ' CYS . 9.1 p-10 35.11 54.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.406 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 14.0 ttp -93.51 135.22 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -96.71 105.1 17.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.3 m -135.09 163.26 36.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.628 ' NE2' HD23 ' A' ' 38' ' ' LEU . 62.1 m80 -68.69 151.86 46.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.566 ' O ' HG22 ' A' ' 60' ' ' VAL . 4.7 tmtt? -59.21 -26.52 64.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.677 ' O ' HG22 ' A' ' 61' ' ' ILE . 5.3 pt20 -91.54 -32.5 15.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.01 -33.57 72.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 57' ' ' LYS . 26.1 m -51.29 -24.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.096 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.677 HG22 ' O ' ' A' ' 58' ' ' GLN . 10.0 tt -71.55 -28.75 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE1' ' A' ' 33' ' ' HIS . 66.4 m-80 -90.37 -37.19 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.541 HG13 ' HD2' ' A' ' 64' ' ' PRO . 89.8 t -55.23 135.57 68.75 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.64 0.733 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.541 ' HD2' HG13 ' A' ' 63' ' ' VAL . 53.4 Cg_endo -69.77 148.89 66.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.5 m -83.03 18.64 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.418 ' N ' ' CD2' ' A' ' 66' ' ' LEU . 2.0 mm? -84.69 28.04 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.503 ' SG ' ' CG2' ' A' ' 50' ' ' THR . 50.3 t -40.03 144.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 31.73 3.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.5 ptp -167.16 123.93 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.781 0.324 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -132.08 38.01 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -139.86 128.24 22.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.0 t -128.18 145.97 50.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 71.75 44.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -49.36 128.07 16.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -102.27 133.4 47.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -129.21 -52.73 0.11 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -80.13 160.57 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.637 ' O ' HD13 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -118.77 169.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' N ' HG12 ' A' ' 78' ' ' ILE . 37.8 m-85 -135.27 158.89 43.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.3 tt -108.5 110.71 22.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.73 113.9 19.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.28 -24.79 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.062 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 45.86 45.13 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 84' ' ' VAL . 12.5 p -87.63 39.65 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.856 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -172.25 153.9 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -142.51 171.51 13.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.04 171.14 29.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -168.94 130.81 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.897 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -140.44 177.48 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.23 -149.39 5.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.53 -178.43 33.52 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -35.64 12.3 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.44 ' O ' ' C ' ' A' ' 11' ' ' THR . 12.0 m-20 45.08 41.17 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.44 ' C ' ' O ' ' A' ' 10' ' ' ASP . 41.2 p -34.65 -55.98 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.37 109.09 16.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.19 152.88 70.33 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.61 0.719 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -26.12 27.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -70.54 -43.12 70.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 17' ' ' LYS . 16.1 m -75.53 -35.33 60.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 16' ' ' SER . 13.4 mmmt -33.74 143.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.549 ' HB3' ' CD2' ' A' ' 20' ' ' PHE . 34.9 m-70 -83.27 134.35 34.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -87.49 33.01 0.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 18' ' ' HIS . 27.5 m-85 -54.29 121.21 7.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -118.57 122.88 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.735 HD11 ' HB3' ' A' ' 43' ' ' HIS . 7.6 tp -59.15 110.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.96 154.8 46.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 43' ' ' HIS . 76.9 p -82.62 157.03 23.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -122.41 152.2 40.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.91 -7.83 52.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.0 m -134.48 155.89 79.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 93.16 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.228 . . . . 0.0 112.317 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.584 ' HB ' HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -89.34 150.03 22.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.922 ' CZ ' HD23 ' A' ' 37' ' ' LEU . 48.6 m-85 -107.73 127.99 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -47.73 160.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -103.5 -38.58 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -68.32 -66.39 0.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 28.1 p -85.11 -36.02 21.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.59 -22.63 38.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.4 m -47.15 149.87 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.922 HD23 ' CZ ' ' A' ' 30' ' ' PHE . 2.9 tm? -75.41 135.34 40.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.861 HD23 ' CD2' ' A' ' 56' ' ' HIS . 19.6 mt -83.28 111.62 19.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.6 142.63 48.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 155.6 165.3 14.14 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.0 mm? -88.82 -41.98 12.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 19.8 tt -138.23 150.97 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.735 ' HB3' HD11 ' A' ' 22' ' ' ILE . 26.7 m170 51.85 44.03 29.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.29 -51.84 68.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.04 -172.6 17.45 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.596 ' SD ' HG11 ' A' ' 60' ' ' VAL . 37.4 mtp -120.13 154.33 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -133.95 121.34 21.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.508 ' HB3' ' N ' ' A' ' 52' ' ' ASP . 4.4 t -63.58 168.7 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.841 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -104.05 -22.54 13.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -102.51 -37.49 7.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 52' ' ' ASP . 14.1 p -114.52 -2.91 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.508 ' N ' ' HB3' ' A' ' 48' ' ' CYS . 5.7 p-10 30.92 54.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.447 ' HB2' ' SG ' ' A' ' 51' ' ' CYS . 23.5 ttp -89.75 136.24 33.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -87.63 120.82 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -152.3 166.79 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.861 ' CD2' HD23 ' A' ' 38' ' ' LEU . 48.8 m80 -74.78 150.49 39.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' ' 60' ' ' VAL . 3.2 tmtt? -58.4 -27.04 63.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.708 ' O ' HG22 ' A' ' 61' ' ' ILE . 23.0 pt20 -93.42 -25.81 17.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.2 m -70.06 -30.14 67.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.596 HG11 ' SD ' ' A' ' 46' ' ' MET . 25.2 m -46.88 -38.09 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.708 HG22 ' O ' ' A' ' 58' ' ' GLN . 15.5 tt -64.64 -30.37 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.707 ' ND2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -76.57 -43.48 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 53.3 t -56.64 129.59 76.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.77 128.69 16.37 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.352 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.8 p -37.78 -26.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 64' ' ' PRO . 2.0 mm? -43.91 106.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.962 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 12.1 t -144.6 156.94 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.88 39.38 3.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.8 mmt -94.46 -36.32 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 27.0 t70 53.76 40.88 32.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 38.5 p-80 -66.44 91.75 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 t -81.77 163.89 22.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -85.34 44.06 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 74' ' ' LYS . 10.8 tmtt? -123.21 114.36 20.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.85 153.62 27.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -171.34 155.88 25.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 4.9 tmm_? -68.79 138.16 54.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 110.915 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 3.3 mt -134.37 35.64 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.41 ' CD1' ' N ' ' A' ' 79' ' ' TYR . 1.9 p90 -154.9 126.07 7.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 tp -114.28 161.31 18.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 2.3 tppt? -147.91 168.15 22.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 81' ' ' LYS . . . 74.49 47.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -66.18 -179.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 9.9 p -151.45 152.64 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.095 179.892 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_