data_2yur_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 2yur _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -138.14 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.77 158.36 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.89 38.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.0 mt -133.01 -69.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -105.62 -4.66 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 56.64 50.49 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.22 141.73 50.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.6 mt -40.32 129.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -90.31 87.24 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -41.28 -36.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.68 77.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.13 127.48 6.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.57 122.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.82 116.33 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.515 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 8.5 tt -76.51 137.17 67.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.77 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.301 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.3 p -30.88 -52.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 p -134.99 -55.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.24 106.3 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -157.82 160.06 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.6 p -94.9 122.45 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -145.11 146.35 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' ASP . 29.6 m -60.98 139.36 58.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.64 -35.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.6 pt-20 -90.86 -50.16 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.5 m -36.97 -56.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.5 tp -66.75 -30.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 32.6 ttm180 -65.01 -57.02 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' LEU . 92.4 m -61.79 -51.55 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.14 -64.72 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 63' ' ' VAL . 91.8 mt -45.91 -35.56 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' THR . 61.0 mt -74.8 -51.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' LEU . 38.2 mt-10 -34.07 -63.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 51.1 m -64.06 152.02 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -34.98 -50.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.01 176.43 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -61.63 82.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -121.69 96.83 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.8 t -39.01 138.02 0.86 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.13 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 m -57.27 -57.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.6 p -126.15 115.38 19.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 28.7 p-80 -45.74 99.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 9.0 tm0? -112.54 171.82 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.29 95.8 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.3 54.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.502 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 7.3 p -63.29 118.21 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.0 m -40.78 101.44 0.24 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.66 0.743 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.57 28.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.626 2.217 . . . . 0.0 112.387 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -81.48 -36.9 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 mt -42.0 155.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.7 mt -130.12 153.5 48.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -81.18 162.39 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.421 HD13 ' CD1' ' A' ' 38' ' ' TYR . 90.0 mt -120.07 -75.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -98.94 -4.44 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.95 45.26 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -127.44 145.42 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -41.11 132.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -95.23 98.22 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 27' ' ' ASP . 7.5 t -48.51 -34.49 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' HG22 ' A' ' 26' ' ' THR . 1.9 t70 -134.44 80.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.29 115.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m -118.96 133.99 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.91 114.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.511 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 9.8 tt -72.68 133.69 82.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.76 -41.97 3.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.342 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 27.7 p -36.68 -53.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -134.98 -51.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.3 103.91 2.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.554 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -157.21 159.89 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -99.74 125.54 45.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CD1' HD13 ' A' ' 20' ' ' ILE . 56.9 m-85 -145.94 150.24 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 41' ' ' GLU . 29.2 m -63.08 133.85 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' CYS . 1.1 p-10 -35.54 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 39' ' ' CYS . 16.9 pt-20 -91.59 -45.4 8.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -44.48 -67.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 44' ' ' ARG . 5.7 tp -49.6 -37.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.9 tpt180 -65.74 -70.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 46' ' ' ALA . 1.9 t -42.46 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 45' ' ' THR . . . -57.64 -41.17 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.15 -33.02 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.38 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 50' ' ' SER . 2.8 pp20? -49.12 -51.12 33.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.9 m -55.45 116.89 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' SER . 50.7 m-20 -34.16 -42.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.03 159.62 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.88 83.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -123.38 135.84 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.12 129.85 90.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 5.08 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -118.39 -60.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.07 159.54 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -75.84 87.75 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.658 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -107.74 139.01 42.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.658 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -64.23 -65.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 37.3 m-20 -150.13 119.89 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 60' ' ' GLN . 85.5 t -104.22 121.08 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -80.25 132.02 60.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -87.22 -45.98 10.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -55.2 -44.08 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.6 mt -37.34 137.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -135.63 142.49 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.15 -173.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -104.46 -20.79 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 42' ' ' CYS . 78.8 mt -72.83 -75.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 20' ' ' ILE . 31.1 p -100.17 8.87 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.6 55.1 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' ILE . 1.7 t70 -133.13 148.45 52.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' ASP . 5.3 mp -35.88 127.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -93.59 93.02 7.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -46.93 -42.16 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.3 m-20 -133.38 51.18 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.2 133.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 m -133.09 127.85 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -87.89 126.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -82.75 137.21 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.695 0.759 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 14.3 p -29.54 -52.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.96 -57.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 101.44 1.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -152.51 162.95 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 19.3 m -92.44 121.4 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 37' ' ' SER . 40.9 m-85 -147.35 126.44 12.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ASP . 23.7 m -46.78 135.69 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 3.1 t0 -33.3 -36.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 7.1 pt-20 -89.15 -43.09 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.2 m -42.82 -58.42 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.95 -35.99 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -56.82 -58.98 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' ALA . 85.9 m -63.87 -55.99 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.24 -60.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' CD2' HG11 ' A' ' 63' ' ' VAL . 59.5 mt -50.07 -46.7 53.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 58.0 mt -65.53 -61.49 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -36.75 -58.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.9 m -55.49 178.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.17 -66.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 tp10 -172.29 117.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.442 ' CB ' ' HA ' ' A' ' 62' ' ' ASP . 31.9 m170 38.15 47.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 m -111.35 114.85 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.27 120.75 61.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.709 0.766 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -104.68 -57.05 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' HIS . 23.6 p -113.57 30.98 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 m80 33.03 44.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 10.5 tm0? -63.09 171.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.01 96.36 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' HA ' ' CB ' ' A' ' 53' ' ' HIS . 7.3 m-20 74.33 54.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.499 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 13.9 p -64.11 119.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.6 t -43.94 103.18 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -18.36 37.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -82.38 -44.63 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.15 -41.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . 42.2 mt -36.44 146.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' O ' ' CE ' ' A' ' 25' ' ' MET . 12.4 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -80.43 159.17 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -85.85 166.29 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.99 29.3 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.54 HD12 ' CD1' ' A' ' 38' ' ' TYR . 85.0 mt -123.69 -75.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -97.02 -9.73 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 62.66 54.91 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -131.95 143.36 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.1 mt -46.03 121.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 16' ' ' LEU . 32.4 mtm -90.9 95.89 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -49.05 -30.82 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -132.46 72.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.29 109.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.16 117.06 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -90.22 140.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 7.1 tt -99.36 136.36 20.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.74 -50.53 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 10.9 p -30.56 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 p -134.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 128.28 64.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.446 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 9.6 m-20 -137.5 145.05 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -94.49 144.02 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.54 ' CD1' HD12 ' A' ' 20' ' ' ILE . 83.8 m-85 -147.66 163.12 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 78.7 m -59.05 133.99 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.95 -26.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' CYS . 5.3 tp10 -95.84 -51.7 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -36.73 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.499 HG21 ' N ' ' A' ' 44' ' ' ARG . 9.2 tp -56.71 -29.56 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' HG21 ' A' ' 43' ' ' ILE . 6.7 tpp180 -62.68 -51.74 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' LEU . 30.1 m -76.39 -48.09 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -33.95 -40.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.7 mt -75.23 -45.85 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 49' ' ' GLU . 23.4 mt -63.01 -56.48 16.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.5 tm-20 -32.05 -41.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -119.51 113.67 21.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 -31.26 14.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.88 -29.74 69.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 63.9 43.68 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.8 m -90.69 134.45 34.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.1 t -62.41 132.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 2.81 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -123.52 -65.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 p -95.16 166.67 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.69 83.99 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 62' ' ' ASP . 11.8 tm0? -110.01 164.86 12.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 -61.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 4.3 t70 -140.48 124.59 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.6 t -115.22 132.34 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -77.43 126.11 85.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.78 -41.98 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -52.6 -45.61 66.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' ALA . 45.3 mt -36.67 152.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -134.5 150.11 50.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.42 161.04 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.17 41.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 38' ' ' TYR . 80.6 mt -134.5 -71.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -103.08 -10.76 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp 64.2 53.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -134.3 143.57 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.7 mt -40.79 124.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -80.55 91.85 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -45.61 -40.48 8.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.195 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -131.24 75.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.55 127.69 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 m -132.63 124.84 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.98 118.29 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 7.6 tt -75.4 137.05 71.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.4 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 20.9 p -31.48 -51.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 p -134.95 -55.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.02 100.42 1.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -153.29 154.93 35.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.1 m -94.16 127.23 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.501 ' CD1' HD11 ' A' ' 20' ' ' ILE . 59.3 m-85 -146.28 155.92 43.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.9 m -65.97 136.81 56.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.25 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -94.83 -50.35 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.6 m -36.86 -50.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 44' ' ' ARG . 7.0 tp -76.71 -27.35 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' GLU . 12.1 ttm180 -66.42 -51.28 58.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -71.97 -44.93 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.94 -41.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HB3' ' CG ' ' A' ' 53' ' ' HIS . 36.7 mt -64.84 -42.13 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.69 -47.11 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.45 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 m -53.1 158.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -54.46 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' HIS . 32.9 mp0 -132.51 81.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 47' ' ' LEU . 11.3 m170 32.98 42.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' CYS . 88.9 m -78.18 93.81 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' THR . 48.0 t -33.64 125.62 0.45 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 5.34 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -114.49 -58.28 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.3 p -121.78 165.4 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.29 91.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -112.66 168.96 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.19 105.29 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 67.53 54.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 64' ' ' SER . 84.0 t -38.65 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.41 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.3 m -98.29 102.26 13.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.9 -27.34 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.97 37.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.77 157.79 17.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -141.55 151.77 43.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -79.16 158.27 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.44 41.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 38' ' ' TYR . 80.4 mt -134.96 -70.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -103.38 -9.52 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 61.16 50.97 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -129.24 140.54 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -42.0 123.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -81.71 114.84 20.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 27' ' ' ASP . 9.2 t -63.12 -44.26 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.464 ' N ' HG22 ' A' ' 26' ' ' THR . 42.3 m-20 -128.49 79.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.15 118.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.95 121.87 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -92.64 124.47 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.522 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 8.8 tt -81.51 136.57 48.76 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 111.182 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.5 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.522 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 21.1 p -32.39 -50.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -135.09 -56.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.85 98.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -101.68 128.05 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CD1' HD11 ' A' ' 20' ' ' ILE . 71.8 m-85 -147.19 154.0 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLU . 66.3 m -65.87 135.29 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.48 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.5 pt-20 -90.11 -47.86 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -40.83 -57.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 44' ' ' ARG . 5.7 tp -68.7 -39.51 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' HG23 ' A' ' 43' ' ' ILE . 12.5 ttm-85 -54.87 -66.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.6 m -57.02 -43.93 82.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.91 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.26 -43.57 81.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -52.7 -47.46 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.31 -45.11 89.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.9 p -76.64 96.83 4.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -44.3 -42.49 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 53' ' ' HIS . 43.4 mt-10 -94.34 44.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' GLU . 34.5 m170 28.87 41.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.8 m -69.11 139.19 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 1.8 t -86.39 134.74 37.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.71 33.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -111.46 -32.74 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 55' ' ' CYS . 13.9 p -127.74 169.03 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -89.55 72.26 7.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -93.96 166.98 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.61 -40.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -124.28 103.78 8.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.46 136.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 66' ' ' ASP . 58.0 m -103.26 116.37 62.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.73 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.93 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 64' ' ' SER . 2.0 m-20 -104.97 -36.64 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.42 43.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.35 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.862 0.363 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -142.35 151.01 41.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -75.35 163.13 27.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.8 37.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 38' ' ' TYR . 81.4 mt -130.85 -71.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.79 -7.76 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm 60.71 54.9 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -133.15 148.98 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -48.18 124.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -84.13 90.32 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -41.42 -40.82 1.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' N ' HG23 ' A' ' 26' ' ' THR . 2.3 m-20 -133.68 83.57 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.02 138.05 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.92 118.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.29 117.3 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.511 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 7.2 tt -77.37 137.17 64.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.8 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 12.8 p -30.43 -52.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -134.98 -57.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.57 103.07 1.7 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -156.06 161.9 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -98.97 125.96 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD1' HD11 ' A' ' 20' ' ' ILE . 63.6 m-85 -145.41 149.14 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' ASP . 39.8 m -60.22 136.37 58.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -35.6 -34.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 3.1 pp20? -89.52 -48.39 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 1.3 m -40.0 -62.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 44' ' ' ARG . 9.6 tp -59.76 -42.12 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 ttm-85 -52.54 -51.76 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' LEU . 51.7 m -65.01 -53.06 52.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.17 -44.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HB3' ' ND1' ' A' ' 53' ' ' HIS . 80.2 mt -67.19 -41.71 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 42.0 mt -64.94 -59.39 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -40.14 -55.25 2.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -61.3 155.88 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 -47.65 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -110.1 44.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 47' ' ' LEU . 8.8 m170 41.99 42.81 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -68.77 135.29 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 57' ' ' THR . 39.9 t -75.37 131.71 77.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 9.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.426 ' H ' ' C ' ' A' ' 55' ' ' CYS . 14.9 m -123.05 -63.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.3 157.4 21.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -72.32 97.94 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.45 ' CG ' HG23 ' A' ' 63' ' ' VAL . 3.7 tp60 -123.35 167.68 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.11 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 68.49 51.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' CG ' ' A' ' 60' ' ' GLN . 50.9 t -56.08 140.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -67.75 111.67 8.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.666 0.746 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.36 4.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.84 36.75 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.53 32.54 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -112.49 156.79 22.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.95 145.4 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -72.9 167.89 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -101.24 33.44 2.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -131.88 -74.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.07 3.23 49.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.24 47.18 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -128.24 141.96 51.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.8 mt -38.64 129.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -89.9 77.77 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 t -43.43 -36.3 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 28' ' ' ALA . 6.5 m-20 -127.6 43.59 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -33.41 141.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.34 117.53 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.19 123.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.517 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.2 tt -88.43 135.85 32.24 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.72 -51.58 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.658 2.238 . . . . 0.0 112.361 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 24.1 p -28.79 -47.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -134.96 -55.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 144.22 -31.88 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -39.59 142.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -105.72 148.07 27.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -147.32 163.89 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLU . 25.0 m -64.85 134.23 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -37.35 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -93.27 -44.04 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.3 m -44.3 -72.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 44' ' ' ARG . 6.0 tp -54.47 -47.86 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 43' ' ' ILE . 29.9 ttp180 -41.15 -57.17 2.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.3 m -71.07 -49.01 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.1 -61.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 63' ' ' VAL . 27.7 mt -46.47 -38.0 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' THR . 10.0 mp -75.64 -47.79 24.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -38.6 -65.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ASP . 40.7 t -59.69 128.17 35.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . 25.9 t70 -34.39 -45.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -121.82 113.64 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' GLU . 25.4 m80 -35.34 104.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' CYS . 87.7 m -148.02 112.28 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.8 t -33.52 132.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.14 2.38 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.6 m -124.2 -73.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 21.4 p -96.44 111.86 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 24.7 p-80 -39.25 110.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -130.22 171.47 12.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.62 98.19 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 55.92 53.93 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 47' ' ' LEU . 4.2 p -43.72 121.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -43.05 105.39 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.667 0.746 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -30.95 21.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -88.17 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.02 31.86 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.1 mt -109.3 153.94 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.896 0.379 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -140.79 156.16 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -78.58 159.83 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.47 41.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' A' ' 38' ' ' TYR . 64.5 mt -134.26 -68.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 20.2 p -105.26 -10.71 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 63.73 55.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.1 t70 -136.91 141.85 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.1 mt -41.45 128.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.97 100.13 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -45.52 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.0 m-20 -134.32 74.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.75 123.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 38' ' ' TYR . 17.6 m -126.41 117.45 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.57 133.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 8.7 tt -98.63 133.92 22.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.76 -46.38 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 25.0 p -31.09 -48.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -132.83 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.37 82.51 0.62 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -152.2 152.38 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -97.23 139.98 32.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' HD12 ' A' ' 20' ' ' ILE . 76.8 m-85 -147.55 152.38 37.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 41' ' ' GLU . 47.4 m -57.36 133.58 55.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -36.36 -29.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 tt0 -92.96 -52.92 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.7 m -36.52 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 44' ' ' ARG . 8.9 tp -44.4 -38.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.425 ' N ' HG21 ' A' ' 43' ' ' ILE . 40.2 ttt180 -65.75 -59.19 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -54.0 -33.66 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 53' ' ' HIS . 54.1 mt -50.3 -48.24 55.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 57.2 mt -62.05 -57.39 11.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' LEU . 41.6 mm-40 -32.8 -63.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' ASP . 88.9 p -69.98 130.82 43.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 2.8 m-20 -33.66 -42.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' HIS . 2.2 mp0 -130.32 133.21 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 47' ' ' LEU . 24.2 m170 -35.58 101.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.2 m -131.17 113.21 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -55.44 129.1 69.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.18 35.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -104.76 -35.12 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' CYS . 14.4 p -126.68 161.63 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 3.7 t-160 -94.32 78.87 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 1.1 tp60 -89.24 179.16 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -135.53 101.44 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t0 60.93 54.97 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 64' ' ' SER . 58.9 t -46.25 143.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 63' ' ' VAL . 88.9 p -87.45 109.44 26.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.09 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -97.57 -33.11 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 47.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 69' ' ' SER . 61.3 mt -119.59 137.37 53.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.871 0.367 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.6 159.93 21.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 25' ' ' MET . 14.4 p -68.87 169.92 10.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -103.15 36.75 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 21' ' ' CYS . 50.0 mt -132.05 -72.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' ILE . 22.9 p -99.4 -11.52 21.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.27 55.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m-20 -132.03 146.38 52.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 124.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 18' ' ' CYS . 3.0 mpp? -87.61 87.06 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.7 t -41.52 -37.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -130.74 48.04 2.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.15 123.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -116.2 122.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.87 130.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.1 tt -93.4 137.2 23.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.79 -52.55 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 17.5 p -29.5 -46.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.6 p -134.79 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 147.12 -41.97 0.93 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-20 -36.79 147.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -111.67 155.78 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -147.2 163.34 36.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLU . 51.5 m -58.97 134.16 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -25.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.6 tp10 -95.97 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.5 m -37.16 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 44' ' ' ARG . 7.7 tp -53.64 -44.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.176 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' HG21 ' A' ' 43' ' ' ILE . 18.7 ttm180 -45.24 -45.77 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -48.98 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.98 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 53' ' ' HIS . 84.2 mt -50.84 -41.35 57.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -66.56 -57.73 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 3.2 mm-40 -36.77 -55.45 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.9 p -60.59 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -99.33 -47.99 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' HIS . 9.2 mp0 -116.13 49.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 12.5 m80 36.72 39.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.5 m -69.81 112.43 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 t -39.28 134.35 1.16 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 6.16 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -131.5 -62.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.5 p -90.38 147.49 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -76.05 82.64 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.458 ' CG ' HG22 ' A' ' 63' ' ' VAL . 9.0 tp60 -107.1 174.08 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.33 106.75 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 72.36 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 60' ' ' GLN . 85.1 t -52.63 150.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.0 m -93.51 107.01 23.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.679 0.752 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.44 16.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.37 -47.36 75.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.96 -44.73 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' ALA . 57.0 mt -34.41 151.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.17 173.79 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -80.76 165.76 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 34.8 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.516 HD13 ' CD1' ' A' ' 38' ' ' TYR . 74.3 mt -129.39 -73.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 28.8 p -102.06 -8.81 21.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.11 54.41 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 58.6 m-20 -131.96 144.37 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.02 124.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 37' ' ' SER . 3.0 mpp? -86.04 87.4 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.5 t -48.36 -47.11 37.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 46.1 m-20 -120.81 40.94 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.06 142.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -135.68 130.37 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.76 113.29 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 10.3 tt -70.83 136.21 85.4 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.72 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 25.9 p -31.33 -52.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.03 -55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 118.36 101.97 2.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.417 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.42 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 89.8 m-20 -150.45 169.02 22.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' ' CE ' ' A' ' 25' ' ' MET . 73.1 p -105.2 122.99 47.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CD1' HD13 ' A' ' 20' ' ' ILE . 47.1 m-85 -146.22 149.73 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' CYS . 34.3 m -64.96 136.76 57.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.59 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -92.32 -37.27 12.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -51.38 -50.52 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 44' ' ' ARG . 9.9 tp -77.34 -23.7 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.2 tmm_? -71.89 -63.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 m -52.92 -49.3 66.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.1 -45.77 11.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.98 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.45 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -48.59 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.2 t -39.85 104.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -40.33 -47.4 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 5.8 mp0 -118.05 99.48 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 20.3 m80 -33.76 98.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.793 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' CYS . 90.7 m -149.62 110.63 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' THR . 44.1 t -33.37 122.94 0.45 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 8.59 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' CYS . 8.2 m -121.7 -64.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.31 168.9 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.04 103.42 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.416 ' CG ' HG21 ' A' ' 63' ' ' VAL . 16.8 tp60 -126.58 161.98 26.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.43 100.82 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 64.07 52.15 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 60' ' ' GLN . 97.1 t -36.66 123.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -66.64 112.07 8.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -25.49 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.24 31.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -127.45 -38.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ALA . 21.5 mt -35.32 148.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LEU . 14.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 mt -145.65 159.99 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.98 169.64 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -100.52 29.17 4.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 23.4 mt -125.3 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.41 -5.1 24.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 57.09 48.27 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.3 144.4 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.7 mt -38.63 133.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.0 mpp? -99.55 90.71 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' MET . 9.9 t -34.52 -45.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 26' ' ' THR . 5.3 t0 -126.74 74.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.94 104.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.72 117.33 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 69' ' ' SER . 2.4 p -102.08 119.55 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.508 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 9.0 tt -81.62 132.95 53.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.76 -44.42 2.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 28.4 p -32.02 -48.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.0 -52.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.1 97.74 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.447 ' ND2' HG22 ' A' ' 57' ' ' THR . 76.6 m-20 -155.45 153.04 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -93.94 131.21 39.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 51.6 m-85 -146.33 155.9 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 44.8 m -70.88 135.2 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -35.8 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.1 pp20? -95.56 -45.59 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -45.93 -40.57 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 44' ' ' ARG . 9.5 tp -80.4 -37.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' HG21 ' A' ' 43' ' ' ILE . 2.7 ptm180 -63.27 -36.17 82.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.1 m -77.81 -40.07 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.9 -39.23 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.9 -51.57 15.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' GLU . 10.9 mp -60.75 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.5 pp20? -34.46 -40.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 99.6 p -107.8 103.26 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' ND1' ' A' ' 53' ' ' HIS . 5.2 m-20 -48.37 -37.82 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.81 -31.07 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 51' ' ' ASP . 43.2 m80 64.58 50.97 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -103.14 136.39 43.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.86 128.87 81.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.45 2.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.447 HG22 ' ND2' ' A' ' 36' ' ' ASN . 5.1 t -127.21 -32.96 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.428 ' N ' HG23 ' A' ' 57' ' ' THR . 15.4 p -128.76 168.03 16.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -85.28 64.97 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 8.2 tp60 -88.52 176.01 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -153.02 136.15 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER 36.81 54.02 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 64' ' ' SER . 64.1 t -54.66 143.23 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 63' ' ' VAL . 67.5 m -88.4 114.0 57.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.95 -37.22 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.06 -45.42 85.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 67' ' ' ALA . 43.8 mt -32.6 134.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.421 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 2.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.6 mt -90.24 165.28 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -77.23 164.46 25.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.55 39.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 82.8 mt -134.58 -70.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -102.26 -11.53 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 64.3 52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -134.09 143.32 47.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.2 mt -42.6 124.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -86.06 95.86 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -46.05 -43.13 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -128.01 79.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.88 133.84 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.93 128.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.43 123.86 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.518 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.9 tt -83.91 134.46 44.05 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.73 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' PRO . 28.1 p -30.15 -51.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.08 -55.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.31 104.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -160.92 156.28 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 p -96.73 128.16 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 60.8 m-85 -146.99 149.83 33.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ASP . 57.3 m -61.74 137.04 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -35.09 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.18 -45.45 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 m -43.61 -49.74 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.487 HG21 ' N ' ' A' ' 44' ' ' ARG . 6.9 tp -75.28 -39.06 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.487 ' N ' HG21 ' A' ' 43' ' ' ILE . 9.9 tpp180 -54.6 -57.04 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' ALA . 44.1 m -60.71 -56.21 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.05 -56.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -52.3 -44.14 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' THR . 51.9 mt -67.07 -58.57 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -39.02 -55.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 p -60.08 166.34 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.93 -61.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.75 70.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.8 m170 39.51 42.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -68.99 100.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.7 t -43.19 133.09 3.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.696 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.54 27.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 0.0 112.372 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -83.08 -58.41 2.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.4 p -118.99 174.96 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -89.69 103.69 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' CG ' HG21 ' A' ' 63' ' ' VAL . 20.8 tp60 -115.95 170.79 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.53 96.57 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t0 67.77 52.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 64' ' ' SER . 64.5 t -43.64 138.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 63' ' ' VAL . 26.2 m -81.14 111.26 22.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.4 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -49.18 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -44.3 -44.33 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 46.9 mt -35.8 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' C ' ' HE1' ' A' ' 25' ' ' MET . 62.3 mt -84.72 153.47 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 p -89.86 168.16 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.65 29.33 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.3 mt -125.81 -75.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -98.02 -6.45 31.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 58.94 53.05 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -126.82 142.3 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -43.33 118.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.413 ' HE1' ' C ' ' A' ' 17' ' ' LEU . 43.0 mtm -86.45 88.24 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -54.17 -35.87 62.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -126.15 45.07 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.96 126.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.16 128.71 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -92.45 119.1 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.5 tt -72.41 137.17 80.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.77 -51.51 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -29.81 -52.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -135.06 -56.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 123.2 93.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 76.3 m-20 -138.12 161.51 36.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 81.9 p -100.85 121.77 42.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 37' ' ' SER . 27.8 m-85 -147.47 150.68 35.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLU . 39.9 m -65.87 135.92 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.84 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.6 pt-20 -92.5 -48.28 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -39.67 -54.16 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 44' ' ' ARG . 8.0 tp -71.89 -30.39 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 43' ' ' ILE . 2.6 tmm_? -61.2 -59.44 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.9 m -62.54 -45.64 92.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.77 -46.52 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.35 -50.35 74.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.5 -56.11 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -45.11 133.56 6.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -45.43 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 41.3 mm-40 -134.82 53.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 6.9 m-70 34.71 44.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 84.2 m -86.11 121.57 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.6 t -43.21 122.55 3.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 5.8 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 m -115.07 -60.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.3 p -115.42 160.65 19.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -76.03 95.14 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.58 ' NE2' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -137.65 171.42 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.413 ' ND2' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -89.68 -174.28 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 101.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.58 ' CG2' ' NE2' ' A' ' 60' ' ' GLN . 97.6 t -70.28 145.84 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.47 ' N ' HG11 ' A' ' 63' ' ' VAL . 25.2 t -73.78 129.13 85.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.69 0.757 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 9.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.222 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 64' ' ' SER . 29.7 t70 -112.54 -36.7 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.43 46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.2 mt -129.07 119.9 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 22.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -144.11 149.54 36.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -76.65 168.96 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.21 30.65 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 42' ' ' CYS . 79.6 mt -124.29 -74.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 31.4 p -98.05 -5.37 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 22' ' ' LYS . 8.8 mptt 58.99 55.08 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.6 m-20 -136.58 145.37 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.9 mm -39.85 132.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.96 80.91 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -38.04 -41.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.29 81.22 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 137.18 18.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.9 120.79 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -91.17 114.08 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.495 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 6.6 tt -72.25 136.26 81.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.76 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 32' ' ' PRO . 8.0 p -29.12 -53.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.02 -59.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 124.41 107.73 1.75 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -161.06 162.42 31.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 m -98.67 124.48 43.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.435 ' CD1' HD11 ' A' ' 20' ' ' ILE . 63.5 m-85 -145.73 147.37 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.6 m -57.08 134.76 56.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -33.83 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 36.0 tt0 -91.89 -50.9 5.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.6 m -37.31 -48.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 44' ' ' ARG . 8.5 tp -79.9 -29.34 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -63.89 -56.62 13.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.8 m -67.18 -43.21 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -49.28 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.58 -49.14 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.53 -55.89 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -38.37 -57.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.96 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -58.73 174.74 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -100.64 -42.73 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' HIS . 15.6 mt-10 -111.12 52.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' GLU . 7.7 m170 33.71 46.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -74.67 137.04 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.19 135.14 47.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.622 0.725 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -14.26 36.0 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -98.65 -56.55 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.65 173.36 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -90.39 91.59 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -111.84 170.73 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.11 -46.08 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.62 106.39 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.61 108.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -70.21 119.73 73.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.748 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.13 -41.93 94.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.58 -47.78 63.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.4 mt -36.53 148.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -137.27 150.0 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -77.28 167.96 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.17 37.07 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.504 HD11 ' CD1' ' A' ' 38' ' ' TYR . 78.6 mt -134.17 -75.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 30.8 p -97.25 -6.27 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 58.1 55.01 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.1 m-20 -132.78 149.53 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -42.88 130.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -92.63 82.27 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.39 -38.36 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ALA . 39.0 t70 -130.25 43.4 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -35.51 133.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 43' ' ' ILE . 2.8 m -121.93 128.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.59 113.16 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.521 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.7 tt -76.62 135.47 68.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.2 Cg_endo -69.77 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 26.6 p -30.66 -50.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.04 -55.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.25 100.61 2.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -153.28 166.65 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.7 p -99.17 125.64 44.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.504 ' CD1' HD11 ' A' ' 20' ' ' ILE . 68.6 m-85 -147.27 149.27 32.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 42' ' ' CYS . 21.1 m -65.89 131.29 45.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -35.2 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 7.2 pt-20 -87.72 -38.23 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.6 m -55.19 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 44' ' ' ARG . 6.1 tp -48.04 -28.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.478 ' N ' HG23 ' A' ' 43' ' ' ILE . 39.0 ttp180 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -56.31 -38.66 71.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 45' ' ' THR . . . -50.81 -44.32 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.3 -42.78 96.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' GLU . 3.7 mm? -57.36 -46.42 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' LEU . 18.5 mt-10 -31.03 -62.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 75.0 m -97.51 115.1 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.9 p-10 -34.75 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' HIS . 12.9 mm-40 -97.8 109.0 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' GLU . 31.1 m170 -32.18 103.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -132.6 106.06 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 t -46.0 126.96 7.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 t -112.83 -32.1 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.3 p -130.07 158.57 39.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 53.2 t-80 -80.54 51.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 15.4 tp60 -59.52 174.82 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -40.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -163.22 138.01 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m -149.6 123.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.84 144.04 28.74 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.42 37.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.27 -41.22 57.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.75 91.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 79.6 mt -41.85 150.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -139.99 158.2 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -78.18 162.16 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.1 31.93 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' TYR . 66.6 mt -126.41 -72.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.95 -0.12 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 53.47 44.7 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -123.79 142.32 51.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -40.58 131.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.63 98.15 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.806 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -44.66 -40.57 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' N ' HG21 ' A' ' 26' ' ' THR . 0.9 OUTLIER -130.75 75.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.41 103.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -106.23 123.0 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.97 114.69 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 8.1 tt -70.29 136.93 86.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.702 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.8 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.392 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -31.97 -53.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.5 p -135.02 -55.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 120.81 107.78 2.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -159.07 162.67 36.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -99.28 123.77 43.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.457 ' CD1' HD12 ' A' ' 20' ' ' ILE . 62.3 m-85 -145.31 135.95 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' CYS . 23.6 m -52.64 134.76 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.29 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 pm0 -93.33 -35.78 12.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.4 m -55.31 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 44' ' ' ARG . 7.1 tp -70.12 -42.51 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' N ' HG21 ' A' ' 43' ' ' ILE . 25.2 ttt180 -53.7 -52.38 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' LEU . 28.2 m -72.21 -46.95 54.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.64 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.59 -39.32 83.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' THR . 45.0 mt -71.79 -65.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.3 -27.45 9.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 20.6 t -79.82 92.51 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 3.1 m-20 -35.42 -41.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 1.3 pp20? -111.75 109.32 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -54.54 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' CYS . 96.1 m -161.17 115.33 2.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -35.63 126.45 0.62 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.64 2.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.409 HG23 ' SG ' ' A' ' 55' ' ' CYS . 5.1 t -124.22 -43.93 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.45 168.87 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -87.89 68.75 9.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -104.61 161.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -106.72 -179.61 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.3 t0 -33.6 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASN . 89.2 t -84.85 148.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -70.69 118.68 67.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -15.92 37.1 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.93 32.76 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -119.42 -40.16 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 67' ' ' ALA . 31.7 mt -36.5 147.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.829 0.347 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -86.32 161.24 18.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 19.8 p -97.99 168.38 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -97.44 32.36 2.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 84.2 mt -128.96 -75.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -98.36 -5.41 32.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 60.26 46.11 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.83 141.49 52.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -45.21 115.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.409 ' CG ' ' HB3' ' A' ' 18' ' ' CYS . 50.4 mtm -75.75 94.88 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -48.45 -37.46 17.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.26 80.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.7 136.49 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 38' ' ' TYR . 4.2 m -137.58 133.76 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.44 117.25 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.521 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 10.6 tt -78.45 136.24 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.721 2.28 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 25.1 p -31.57 -52.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.8 p -134.98 -53.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 105.82 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.2 m -96.85 128.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.563 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 51.7 m-85 -145.93 157.33 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' GLU . 61.5 m -66.36 136.21 55.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.24 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.3 tt0 -90.62 -50.6 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -37.42 -58.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 44' ' ' ARG . 7.5 tp -64.13 -30.85 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 43' ' ' ILE . 24.4 ttt85 -65.37 -44.45 87.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' ALA . 53.8 m -66.68 -60.42 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.63 -63.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -42.39 -48.05 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.34 -58.7 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -43.58 -57.01 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 164.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.26 -57.58 5.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.78 77.44 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.7 m170 44.23 41.76 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 m -79.48 111.76 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.48 129.3 69.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.64 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.628 2.218 . . . . 0.0 112.389 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.9 m -118.8 -52.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.11 168.4 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -81.04 87.43 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -116.24 159.99 21.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -120.39 -39.36 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.96 124.02 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 64' ' ' SER . 97.3 t -124.83 136.82 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 63' ' ' VAL . 95.4 p -93.38 109.65 41.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 2.96 3.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.69 -45.36 6.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -50.92 -41.78 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -34.31 145.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.2 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.61 150.83 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -87.11 170.14 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.97 33.52 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.41 HD11 ' CD1' ' A' ' 38' ' ' TYR . 84.4 mt -130.37 -71.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -102.52 -0.16 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 50.42 54.57 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -132.86 143.55 49.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -44.04 127.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -97.18 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -54.02 -41.77 68.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.91 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.49 107.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG2' HG21 ' A' ' 43' ' ' ILE . 16.5 m -99.54 117.72 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.71 116.09 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.522 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 9.5 tt -71.7 136.31 83.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.63 -48.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.416 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.522 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 21.1 p -30.86 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.4 p -135.02 -54.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 125.95 94.18 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -139.98 145.13 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.909 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -93.33 127.27 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 41.6 m-85 -144.36 160.46 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' GLU . 56.4 m -71.72 138.74 48.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -37.95 -30.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 13.8 pt-20 -95.26 -45.43 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -43.22 -61.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 44' ' ' ARG . 10.2 tp -61.97 -27.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -66.98 -44.64 79.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' ALA . 60.5 m -76.31 -55.55 5.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.68 -60.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 mt -47.75 -47.17 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.1 mt -66.96 -61.09 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' LEU . 17.1 mt-10 -33.63 -52.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 11.3 t -68.07 134.86 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -35.25 -61.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.57 170.95 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -69.99 87.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' CYS . 19.5 m -129.73 99.08 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' THR . 53.6 t -37.23 127.6 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.1 34.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.608 2.205 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.44 ' HG1' ' ND2' ' A' ' 36' ' ' ASN . 39.3 m -94.08 -51.15 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 19.5 p -130.8 113.63 14.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.603 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 28.7 p-80 -37.2 104.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.748 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -120.73 139.84 52.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.748 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -62.56 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -147.88 127.48 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.12 120.41 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 t -67.24 119.97 68.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.711 0.767 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.1 9.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.42 -52.26 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -45.78 -44.79 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' ALA . 55.8 mt -34.13 148.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.07 160.52 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 p -92.08 -173.1 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -103.93 -22.8 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 21' ' ' CYS . 48.2 mt -75.26 -76.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.465 ' N ' HG21 ' A' ' 20' ' ' ILE . 14.0 p -99.99 13.18 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.4 46.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -121.81 148.52 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.7 mt -42.65 131.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.4 mtm -98.75 90.98 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -39.55 -44.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -128.17 87.42 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.73 128.3 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m -127.87 119.02 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.73 118.06 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -80.69 135.91 52.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 111.192 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.4 Cg_endo -69.68 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 13.1 p -30.04 -52.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.98 -56.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.14 96.52 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -148.45 158.62 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 p -96.32 127.42 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -145.72 146.2 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASP . 40.2 m -61.34 136.26 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -34.97 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.58 -42.08 15.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -45.44 -67.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.0 -26.97 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -69.35 -32.87 72.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.5 m -89.41 -45.5 9.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.58 -42.98 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.22 -42.89 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 49' ' ' GLU . 4.6 mm? -64.67 -57.74 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' LEU . 61.1 mm-40 -33.23 -65.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 26.2 p -67.79 143.29 55.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.5 m-20 -34.62 -45.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' THR . 36.0 mt-10 -130.09 169.26 15.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -56.59 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' GLU . 76.5 m -106.16 129.18 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -79.49 122.93 84.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.595 0.712 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.23 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 55' ' ' CYS . 1.2 t -128.73 -45.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.17 -7.49 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 24.8 m-70 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.16 95.27 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 74.91 53.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 64' ' ' SER . 59.5 t -49.88 159.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.426 ' N ' HG11 ' A' ' 63' ' ' VAL . 5.0 m -101.03 104.2 30.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.717 0.77 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 54.0 Cg_endo -69.71 0.79 5.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.59 -31.62 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -68.59 -43.56 76.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.2 mt -34.64 145.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 49.06 42.18 20.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -111.22 -44.75 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 -179.23 16.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.44 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 59.56 41.87 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -89.53 92.61 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.66 130.56 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -87.4 138.65 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -117.76 161.91 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.22 129.38 25.65 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' ILE . 54.4 Cg_endo -69.68 173.68 10.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' PRO . 97.0 mt -35.04 124.9 0.56 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.48 45.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.49 -45.53 92.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -42.28 -25.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 14' ' ' ASP . 39.9 mt -100.9 33.48 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 14' ' ' ASP . 70.3 mt -138.14 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.77 158.36 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.89 38.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.0 mt -133.01 -69.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -105.62 -4.66 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 56.64 50.49 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.22 141.73 50.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.6 mt -40.32 129.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -90.31 87.24 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -41.28 -36.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.68 77.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.13 127.48 6.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.57 122.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.82 116.33 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.515 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 8.5 tt -76.51 137.17 67.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.493 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.77 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.301 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.3 p -30.88 -52.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 p -134.99 -55.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.24 106.3 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -157.82 160.06 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.6 p -94.9 122.45 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -145.11 146.35 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' ASP . 29.6 m -60.98 139.36 58.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.64 -35.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.6 pt-20 -90.86 -50.16 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.5 m -36.97 -56.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.5 tp -66.75 -30.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 32.6 ttm180 -65.01 -57.02 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' LEU . 92.4 m -61.79 -51.55 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.14 -64.72 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD21 ' CG1' ' A' ' 63' ' ' VAL . 91.8 mt -45.91 -35.56 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' THR . 61.0 mt -74.8 -51.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 48' ' ' LEU . 38.2 mt-10 -34.07 -63.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 51.1 m -64.06 152.02 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -34.98 -50.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.01 176.43 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -61.63 82.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -121.69 96.83 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.8 t -39.01 138.02 0.86 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.13 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 m -57.27 -57.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.6 p -126.15 115.38 19.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 28.7 p-80 -45.74 99.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 9.0 tm0? -112.54 171.82 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.29 95.8 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.3 54.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.502 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 7.3 p -63.29 118.21 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.0 m -40.78 101.44 0.24 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.66 0.743 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.57 28.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.626 2.217 . . . . 0.0 112.387 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -81.48 -36.9 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 mt -42.0 155.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 p -75.96 49.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -129.76 97.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.14 27.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.601 2.201 . . . . 0.0 112.331 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -87.07 41.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.1 m 60.22 41.4 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.584 -179.94 . . . . . . . . 0 0 . 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 -0.313 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -84.44 131.55 34.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -84.99 85.88 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.72 -87.19 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m 60.57 41.81 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -75.41 156.21 35.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.68 -175.75 14.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.88 151.39 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -81.66 172.99 12.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.62 126.25 62.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 158.36 57.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.4 mm -40.18 124.55 1.69 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.21 42.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -65.92 -40.47 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -49.41 -18.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 mt -109.66 31.48 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.858 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.7 mt -130.12 153.5 48.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -81.18 162.39 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.421 HD13 ' CD1' ' A' ' 38' ' ' TYR . 90.0 mt -120.07 -75.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -98.94 -4.44 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.95 45.26 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -127.44 145.42 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -41.11 132.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -95.23 98.22 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 27' ' ' ASP . 7.5 t -48.51 -34.49 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' HG22 ' A' ' 26' ' ' THR . 1.9 t70 -134.44 80.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.29 115.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m -118.96 133.99 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.91 114.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.511 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 9.8 tt -72.68 133.69 82.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.76 -41.97 3.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.342 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 27.7 p -36.68 -53.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -134.98 -51.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.3 103.91 2.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.554 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -157.21 159.89 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -99.74 125.54 45.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CD1' HD13 ' A' ' 20' ' ' ILE . 56.9 m-85 -145.94 150.24 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 41' ' ' GLU . 29.2 m -63.08 133.85 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' CYS . 1.1 p-10 -35.54 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 39' ' ' CYS . 16.9 pt-20 -91.59 -45.4 8.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -44.48 -67.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 44' ' ' ARG . 5.7 tp -49.6 -37.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.42 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.9 tpt180 -65.74 -70.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 46' ' ' ALA . 1.9 t -42.46 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 45' ' ' THR . . . -57.64 -41.17 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.15 -33.02 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.38 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 50' ' ' SER . 2.8 pp20? -49.12 -51.12 33.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.9 m -55.45 116.89 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' SER . 50.7 m-20 -34.16 -42.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.03 159.62 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.88 83.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -123.38 135.84 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.12 129.85 90.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 5.08 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -118.39 -60.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.07 159.54 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -75.84 87.75 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.658 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -107.74 139.01 42.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.658 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -64.23 -65.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 37.3 m-20 -150.13 119.89 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.441 ' CG2' ' HG3' ' A' ' 60' ' ' GLN . 85.5 t -104.22 121.08 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -80.25 132.02 60.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -87.22 -45.98 10.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -55.2 -44.08 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.6 mt -37.34 137.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 69.0 p -57.99 143.11 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.09 -134.25 2.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.03 12.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -82.43 145.54 29.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.9 m -121.32 119.89 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.467 179.999 . . . . . . . . 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 1.452 -0.288 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -109.34 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -53.17 -46.69 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.85 170.24 30.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -151.61 134.6 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -71.15 154.46 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.9 87.94 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -85.31 89.44 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -93.34 161.43 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -127.31 131.35 23.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 163.94 36.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mm -46.4 127.32 7.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 169.98 17.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 17' ' ' LEU . 25.7 t0 -67.65 -41.87 83.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -46.81 -21.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt -108.22 32.98 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 14' ' ' ASP . 85.0 mt -135.63 142.49 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.15 -173.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -104.46 -20.79 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 42' ' ' CYS . 78.8 mt -72.83 -75.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 20' ' ' ILE . 31.1 p -100.17 8.87 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.6 55.1 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' ILE . 1.7 t70 -133.13 148.45 52.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 23' ' ' ASP . 5.3 mp -35.88 127.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -93.59 93.02 7.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.1 t -46.93 -42.16 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . 7.3 m-20 -133.38 51.18 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.2 133.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.1 m -133.09 127.85 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -87.89 126.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -82.75 137.21 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.695 0.759 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 14.3 p -29.54 -52.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.96 -57.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 101.44 1.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -152.51 162.95 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 19.3 m -92.44 121.4 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 37' ' ' SER . 40.9 m-85 -147.35 126.44 12.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ASP . 23.7 m -46.78 135.69 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 3.1 t0 -33.3 -36.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 7.1 pt-20 -89.15 -43.09 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.2 m -42.82 -58.42 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.4 tp -63.95 -35.99 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -56.82 -58.98 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' ALA . 85.9 m -63.87 -55.99 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.24 -60.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' CD2' HG11 ' A' ' 63' ' ' VAL . 59.5 mt -50.07 -46.7 53.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 58.0 mt -65.53 -61.49 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -36.75 -58.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.9 m -55.49 178.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.17 -66.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 tp10 -172.29 117.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.442 ' CB ' ' HA ' ' A' ' 62' ' ' ASP . 31.9 m170 38.15 47.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.6 m -111.35 114.85 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.27 120.75 61.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.709 0.766 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -104.68 -57.05 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' HIS . 23.6 p -113.57 30.98 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 m80 33.03 44.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 10.5 tm0? -63.09 171.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.01 96.36 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' HA ' ' CB ' ' A' ' 53' ' ' HIS . 7.3 m-20 74.33 54.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.499 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 13.9 p -64.11 119.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.6 t -43.94 103.18 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -18.36 37.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -82.38 -44.63 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.15 -41.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . 42.2 mt -36.44 146.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -65.0 156.53 31.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.22 154.75 7.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -30.14 22.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -111.13 130.12 55.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.5 t -134.12 147.23 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.424 179.989 . . . . . . . . 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 -0.313 0 N-CA-C 112.383 -0.287 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -59.29 114.34 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -63.9 125.22 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.13 -94.38 0.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -81.45 151.81 27.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -49.55 -50.06 43.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 161.07 34.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.1 160.04 29.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.49 146.13 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.4 139.8 26.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 159.04 54.88 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -83.32 120.2 75.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 169.12 19.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 25.1 m-20 -71.99 -50.59 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' ASP . 17.4 pt-20 -37.05 -30.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 14' ' ' ASP . 12.4 mt -84.47 -42.05 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' ASP . 75.6 mt -80.43 159.17 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -85.85 166.29 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.99 29.3 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.54 HD12 ' CD1' ' A' ' 38' ' ' TYR . 85.0 mt -123.69 -75.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -97.02 -9.73 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 62.66 54.91 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -131.95 143.36 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.1 mt -46.03 121.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.421 ' CE ' ' O ' ' A' ' 16' ' ' LEU . 32.4 mtm -90.9 95.89 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -49.05 -30.82 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -132.46 72.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.29 109.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -114.16 117.06 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -90.22 140.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 7.1 tt -99.36 136.36 20.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.74 -50.53 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 10.9 p -30.56 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 p -134.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 128.28 64.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.446 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 9.6 m-20 -137.5 145.05 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -94.49 144.02 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.54 ' CD1' HD12 ' A' ' 20' ' ' ILE . 83.8 m-85 -147.66 163.12 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 78.7 m -59.05 133.99 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.95 -26.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' CYS . 5.3 tp10 -95.84 -51.7 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -36.73 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.499 HG21 ' N ' ' A' ' 44' ' ' ARG . 9.2 tp -56.71 -29.56 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' N ' HG21 ' A' ' 43' ' ' ILE . 6.7 tpp180 -62.68 -51.74 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' LEU . 30.1 m -76.39 -48.09 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -33.95 -40.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.7 mt -75.23 -45.85 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 49' ' ' GLU . 23.4 mt -63.01 -56.48 16.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.5 tm-20 -32.05 -41.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -119.51 113.67 21.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 -31.26 14.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.88 -29.74 69.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 63.9 43.68 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.8 m -90.69 134.45 34.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.1 t -62.41 132.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 2.81 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.7 m -123.52 -65.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 p -95.16 166.67 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.69 83.99 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 62' ' ' ASP . 11.8 tm0? -110.01 164.86 12.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 -61.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 4.3 t70 -140.48 124.59 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.6 t -115.22 132.34 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -77.43 126.11 85.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.78 -41.98 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -52.6 -45.61 66.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' ALA . 45.3 mt -36.67 152.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 m -85.23 86.64 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.97 129.31 1.04 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.79 13.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.285 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -137.64 146.83 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 t -128.39 119.75 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.483 -179.962 . . . . . . . . 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 -0.332 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -110.75 131.08 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.375 . . . . 0.0 110.84 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -108.62 99.98 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 159.68 13.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 p -119.52 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -130.44 117.55 19.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.17 62.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -94.7 119.74 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -106.65 163.0 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -132.2 123.27 18.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 179.44 3.67 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -52.53 129.83 44.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -73.79 -40.06 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.54 -25.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -97.84 28.44 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ASP . 96.3 mt -134.5 150.11 50.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.42 161.04 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.17 41.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 38' ' ' TYR . 80.6 mt -134.5 -71.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 p -103.08 -10.76 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp 64.2 53.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -134.3 143.57 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.7 mt -40.79 124.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -80.55 91.85 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -45.61 -40.48 8.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.195 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -131.24 75.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.55 127.69 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.5 m -132.63 124.84 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.98 118.29 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 7.6 tt -75.4 137.05 71.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.4 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.529 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 20.9 p -31.48 -51.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 p -134.95 -55.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.02 100.42 1.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -153.29 154.93 35.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.1 m -94.16 127.23 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.501 ' CD1' HD11 ' A' ' 20' ' ' ILE . 59.3 m-85 -146.28 155.92 43.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.9 m -65.97 136.81 56.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.25 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -94.83 -50.35 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.6 m -36.86 -50.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG21 ' N ' ' A' ' 44' ' ' ARG . 7.0 tp -76.71 -27.35 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' GLU . 12.1 ttm180 -66.42 -51.28 58.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 95.3 m -71.97 -44.93 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.94 -41.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HB3' ' CG ' ' A' ' 53' ' ' HIS . 36.7 mt -64.84 -42.13 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.69 -47.11 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.45 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 m -53.1 158.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -54.46 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' HIS . 32.9 mp0 -132.51 81.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.465 ' CG ' ' HB3' ' A' ' 47' ' ' LEU . 11.3 m170 32.98 42.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' CYS . 88.9 m -78.18 93.81 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' THR . 48.0 t -33.64 125.62 0.45 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 5.34 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 33.0 m -114.49 -58.28 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.3 p -121.78 165.4 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.29 91.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -112.66 168.96 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.19 105.29 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 67.53 54.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 64' ' ' SER . 84.0 t -38.65 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.41 ' N ' ' CG1' ' A' ' 63' ' ' VAL . 1.3 m -98.29 102.26 13.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.9 -27.34 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.97 37.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.77 157.79 17.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m -83.84 44.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.53 -77.31 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.75 12.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -66.54 -52.96 40.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 p -42.37 140.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.459 -179.967 . . . . . . . . 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 1.45 -0.373 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -142.62 157.24 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -101.23 122.52 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.39 82.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -122.04 137.36 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -164.66 158.88 18.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.36 -48.84 11.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -121.38 112.63 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -86.65 84.74 7.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -142.42 134.33 13.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.528 0.68 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -81.11 130.71 61.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 169.38 19.0 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.721 2.28 . . . . 0.0 112.388 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 17' ' ' LEU . 11.3 t0 -71.04 -47.19 59.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -41.91 -28.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.52 38.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 14' ' ' ASP . 61.4 mt -141.55 151.77 43.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -79.16 158.27 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.44 41.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.572 HD11 ' CD1' ' A' ' 38' ' ' TYR . 80.4 mt -134.96 -70.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -103.38 -9.52 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 61.16 50.97 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -129.24 140.54 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -42.0 123.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -81.71 114.84 20.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 27' ' ' ASP . 9.2 t -63.12 -44.26 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.464 ' N ' HG22 ' A' ' 26' ' ' THR . 42.3 m-20 -128.49 79.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.15 118.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.4 m -123.95 121.87 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -92.64 124.47 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.522 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 8.8 tt -81.51 136.57 48.76 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 111.182 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.5 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.522 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 21.1 p -32.39 -50.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -135.09 -56.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.85 98.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -101.68 128.05 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.572 ' CD1' HD11 ' A' ' 20' ' ' ILE . 71.8 m-85 -147.19 154.0 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLU . 66.3 m -65.87 135.29 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.48 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.5 pt-20 -90.11 -47.86 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -40.83 -57.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 44' ' ' ARG . 5.7 tp -68.7 -39.51 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' HG23 ' A' ' 43' ' ' ILE . 12.5 ttm-85 -54.87 -66.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.6 m -57.02 -43.93 82.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.91 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.26 -43.57 81.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -52.7 -47.46 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.31 -45.11 89.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.9 p -76.64 96.83 4.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -44.3 -42.49 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 53' ' ' HIS . 43.4 mt-10 -94.34 44.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' GLU . 34.5 m170 28.87 41.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.8 m -69.11 139.19 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 1.8 t -86.39 134.74 37.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.71 33.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -111.46 -32.74 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 55' ' ' CYS . 13.9 p -127.74 169.03 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -89.55 72.26 7.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -93.96 166.98 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.61 -40.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -124.28 103.78 8.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.46 136.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 66' ' ' ASP . 58.0 m -103.26 116.37 62.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.73 . . . . 0.0 110.82 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.93 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.423 ' H ' ' C ' ' A' ' 64' ' ' SER . 2.0 m-20 -104.97 -36.64 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.42 43.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.35 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -96.51 87.35 4.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.18 123.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.28 16.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -105.45 169.57 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.9 p -166.44 169.69 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.436 179.927 . . . . . . . . 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 -0.343 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -129.11 172.86 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -143.17 119.89 11.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.87 74.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -131.73 135.64 46.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -97.77 134.27 41.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.13 84.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.59 133.75 47.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -133.23 159.55 39.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -126.19 126.37 24.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.749 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 170.26 17.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -46.79 131.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.07 25.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.742 2.295 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -66.2 -41.02 90.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.8 -27.04 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -103.5 32.66 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -142.35 151.01 41.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -75.35 163.13 27.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.8 37.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 38' ' ' TYR . 81.4 mt -130.85 -71.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.79 -7.76 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm 60.71 54.9 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -133.15 148.98 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -48.18 124.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -84.13 90.32 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -41.42 -40.82 1.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' N ' HG23 ' A' ' 26' ' ' THR . 2.3 m-20 -133.68 83.57 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.02 138.05 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.7 m -136.92 118.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.29 117.3 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.511 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 7.2 tt -77.37 137.17 64.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.8 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 12.8 p -30.43 -52.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -134.98 -57.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.57 103.07 1.7 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -156.06 161.9 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -98.97 125.96 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD1' HD11 ' A' ' 20' ' ' ILE . 63.6 m-85 -145.41 149.14 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' ASP . 39.8 m -60.22 136.37 58.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -35.6 -34.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 3.1 pp20? -89.52 -48.39 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' N ' ' CD ' ' A' ' 41' ' ' GLU . 1.3 m -40.0 -62.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG23 ' N ' ' A' ' 44' ' ' ARG . 9.6 tp -59.76 -42.12 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 ttm-85 -52.54 -51.76 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' LEU . 51.7 m -65.01 -53.06 52.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.17 -44.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HB3' ' ND1' ' A' ' 53' ' ' HIS . 80.2 mt -67.19 -41.71 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 42.0 mt -64.94 -59.39 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -40.14 -55.25 2.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -61.3 155.88 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 -47.65 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -110.1 44.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 47' ' ' LEU . 8.8 m170 41.99 42.81 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -68.77 135.29 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.426 ' C ' ' H ' ' A' ' 57' ' ' THR . 39.9 t -75.37 131.71 77.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 9.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.426 ' H ' ' C ' ' A' ' 55' ' ' CYS . 14.9 m -123.05 -63.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.3 157.4 21.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -72.32 97.94 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.45 ' CG ' HG23 ' A' ' 63' ' ' VAL . 3.7 tp60 -123.35 167.68 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.11 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 68.49 51.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG23 ' CG ' ' A' ' 60' ' ' GLN . 50.9 t -56.08 140.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -67.75 111.67 8.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.666 0.746 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.36 4.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.84 36.75 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.53 32.54 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.2 mt -112.49 156.79 22.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t -74.88 110.8 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 175.45 -140.58 5.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.293 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.6 m -67.18 -55.03 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.8 p -60.18 139.92 57.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.527 179.976 . . . . . . . . 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 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -162.37 122.51 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -90.95 151.59 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.42 145.73 17.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 m -50.5 141.95 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 m -57.02 175.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.91 54.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -46.45 151.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -126.83 154.32 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.04 125.75 67.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.701 0.762 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 159.93 51.63 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.58 120.22 39.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 163.92 36.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -65.9 -33.12 75.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -56.96 -20.12 21.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt -109.77 19.87 18.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.95 145.4 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -72.9 167.89 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -101.24 33.44 2.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -131.88 -74.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.07 3.23 49.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.24 47.18 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -128.24 141.96 51.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.8 mt -38.64 129.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -89.9 77.77 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 t -43.43 -36.3 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 28' ' ' ALA . 6.5 m-20 -127.6 43.59 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -33.41 141.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.34 117.53 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.19 123.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.517 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.2 tt -88.43 135.85 32.24 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.72 -51.58 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.658 2.238 . . . . 0.0 112.361 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 24.1 p -28.79 -47.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -134.96 -55.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 144.22 -31.88 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -39.59 142.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -105.72 148.07 27.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -147.32 163.89 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLU . 25.0 m -64.85 134.23 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -37.35 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -93.27 -44.04 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.3 m -44.3 -72.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 44' ' ' ARG . 6.0 tp -54.47 -47.86 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 43' ' ' ILE . 29.9 ttp180 -41.15 -57.17 2.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.3 m -71.07 -49.01 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.1 -61.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 63' ' ' VAL . 27.7 mt -46.47 -38.0 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' THR . 10.0 mp -75.64 -47.79 24.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -38.6 -65.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ASP . 40.7 t -59.69 128.17 35.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . 25.9 t70 -34.39 -45.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -121.82 113.64 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' GLU . 25.4 m80 -35.34 104.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' CYS . 87.7 m -148.02 112.28 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.8 t -33.52 132.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.14 2.38 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.6 m -124.2 -73.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 21.4 p -96.44 111.86 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 24.7 p-80 -39.25 110.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -130.22 171.47 12.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.62 98.19 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 55.92 53.93 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.461 ' CG1' HD23 ' A' ' 47' ' ' LEU . 4.2 p -43.72 121.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -43.05 105.39 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.667 0.746 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -30.95 21.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -88.17 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.02 31.86 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.1 mt -109.3 153.94 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.5 t -37.51 -40.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' A' ' 72' ' ' SER . . . -60.0 144.54 46.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.3 Cg_endo -69.75 7.82 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.413 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 71' ' ' PRO . 53.2 p -29.97 -48.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' SER . 42.5 p -34.02 -56.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.466 -179.999 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 p -81.71 46.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -83.78 146.19 28.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -153.06 24.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.548 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -153.36 168.85 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -47.97 169.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 157.79 22.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -91.6 137.09 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.61 168.69 20.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.16 137.02 22.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.556 0.693 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 168.04 22.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.45 129.43 88.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 170.85 15.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.99 -42.85 56.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -46.23 -23.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.2 mt -101.25 34.27 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -140.79 156.16 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -78.58 159.83 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.47 41.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.53 HD12 ' CD1' ' A' ' 38' ' ' TYR . 64.5 mt -134.26 -68.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 20.2 p -105.26 -10.71 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 63.73 55.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.1 t70 -136.91 141.85 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.1 mt -41.45 128.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.97 100.13 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -45.52 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . 2.0 m-20 -134.32 74.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.75 123.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 38' ' ' TYR . 17.6 m -126.41 117.45 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.57 133.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 8.7 tt -98.63 133.92 22.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.76 -46.38 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 25.0 p -31.09 -48.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -132.83 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.37 82.51 0.62 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -152.2 152.38 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -97.23 139.98 32.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CD1' HD12 ' A' ' 20' ' ' ILE . 76.8 m-85 -147.55 152.38 37.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 41' ' ' GLU . 47.4 m -57.36 133.58 55.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -36.36 -29.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 tt0 -92.96 -52.92 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.7 m -36.52 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 44' ' ' ARG . 8.9 tp -44.4 -38.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.425 ' N ' HG21 ' A' ' 43' ' ' ILE . 40.2 ttt180 -65.75 -59.19 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -54.0 -33.66 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 53' ' ' HIS . 54.1 mt -50.3 -48.24 55.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 57.2 mt -62.05 -57.39 11.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' LEU . 41.6 mm-40 -32.8 -63.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' ASP . 88.9 p -69.98 130.82 43.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 2.8 m-20 -33.66 -42.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' HIS . 2.2 mp0 -130.32 133.21 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 47' ' ' LEU . 24.2 m170 -35.58 101.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.2 m -131.17 113.21 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' CYS . 0.8 OUTLIER -55.44 129.1 69.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.18 35.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -104.76 -35.12 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' CYS . 14.4 p -126.68 161.63 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 3.7 t-160 -94.32 78.87 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.472 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 1.1 tp60 -89.24 179.16 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -135.53 101.44 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t0 60.93 54.97 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 64' ' ' SER . 58.9 t -46.25 143.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 63' ' ' VAL . 88.9 p -87.45 109.44 26.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.09 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -97.57 -33.11 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 47.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 69' ' ' SER . 61.3 mt -119.59 137.37 53.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.2 t -36.61 -43.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -76.27 112.77 3.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 103.45 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -72.65 112.0 8.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.8 p -111.5 138.86 47.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.553 179.965 . . . . . . . . 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 -0.356 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -127.7 143.21 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 p -62.03 -51.66 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 43.64 2.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -63.22 -58.18 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -126.01 103.11 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.0 -129.79 5.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.79 144.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -53.24 120.77 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.488 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.2 m-20 -68.68 -59.73 5.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 10' ' ' ASP . 53.3 Cg_endo -69.75 159.15 54.46 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -81.58 127.34 73.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.99 47.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.786 2.324 . . . . 0.0 112.298 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.42 -29.39 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.23 -39.03 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.6 159.93 21.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 25' ' ' MET . 14.4 p -68.87 169.92 10.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -103.15 36.75 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 21' ' ' CYS . 50.0 mt -132.05 -72.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' ILE . 22.9 p -99.4 -11.52 21.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.27 55.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 73.9 m-20 -132.03 146.38 52.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 124.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 18' ' ' CYS . 3.0 mpp? -87.61 87.06 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.7 t -41.52 -37.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -130.74 48.04 2.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.15 123.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.3 m -116.2 122.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.2 t -81.87 130.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.1 tt -93.4 137.2 23.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.79 -52.55 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 17.5 p -29.5 -46.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.6 p -134.79 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 147.12 -41.97 0.93 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-20 -36.79 147.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -111.67 155.78 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -147.2 163.34 36.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLU . 51.5 m -58.97 134.16 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.31 -25.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.6 tp10 -95.97 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' GLU . 1.5 m -37.16 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG21 ' N ' ' A' ' 44' ' ' ARG . 7.7 tp -53.64 -44.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.176 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' N ' HG21 ' A' ' 43' ' ' ILE . 18.7 ttm180 -45.24 -45.77 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -48.98 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.98 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 53' ' ' HIS . 84.2 mt -50.84 -41.35 57.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -66.56 -57.73 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 3.2 mm-40 -36.77 -55.45 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.9 p -60.59 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -99.33 -47.99 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' HIS . 9.2 mp0 -116.13 49.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.457 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . 12.5 m80 36.72 39.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.5 m -69.81 112.43 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 3.7 t -39.28 134.35 1.16 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 6.16 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -131.5 -62.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 20.5 p -90.38 147.49 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -76.05 82.64 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.458 ' CG ' HG22 ' A' ' 63' ' ' VAL . 9.0 tp60 -107.1 174.08 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.33 106.75 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 72.36 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.458 HG22 ' CG ' ' A' ' 60' ' ' GLN . 85.1 t -52.63 150.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.0 m -93.51 107.01 23.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.679 0.752 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.44 16.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.37 -47.36 75.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.96 -44.73 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' ALA . 57.0 mt -34.41 151.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.5 m -80.2 43.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.44 87.73 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.83 11.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -71.29 139.09 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -46.53 126.85 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.489 179.984 . . . . . . . . 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 -0.329 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -75.08 148.26 39.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -88.69 117.04 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.807 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.15 -171.25 19.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -99.91 -43.68 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -68.23 95.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.11 -92.05 1.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' C ' ' CD ' ' A' ' 8' ' ' GLU . 1.8 pp20? -79.07 146.25 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.22 158.75 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.92 144.18 45.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.83 48.24 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.6 2.2 . . . . 0.0 112.396 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.79 129.15 5.19 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.62 0.724 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 160.76 48.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -62.69 -50.3 71.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.833 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 9.2 pt-20 -37.92 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' ASP . 13.9 mt -92.97 -36.15 12.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 13.1 mt -92.17 173.79 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -80.76 165.76 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 34.8 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.516 HD13 ' CD1' ' A' ' 38' ' ' TYR . 74.3 mt -129.39 -73.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 28.8 p -102.06 -8.81 21.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.11 54.41 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 58.6 m-20 -131.96 144.37 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.02 124.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.412 ' CE ' ' HB2' ' A' ' 37' ' ' SER . 3.0 mpp? -86.04 87.4 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.5 t -48.36 -47.11 37.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 28' ' ' ALA . 46.1 m-20 -120.81 40.94 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.06 142.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -135.68 130.37 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.76 113.29 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 10.3 tt -70.83 136.21 85.4 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.72 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 25.9 p -31.33 -52.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.03 -55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 118.36 101.97 2.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.417 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.42 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 89.8 m-20 -150.45 169.02 22.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB2' ' CE ' ' A' ' 25' ' ' MET . 73.1 p -105.2 122.99 47.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.516 ' CD1' HD13 ' A' ' 20' ' ' ILE . 47.1 m-85 -146.22 149.73 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' CYS . 34.3 m -64.96 136.76 57.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.59 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -92.32 -37.27 12.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -51.38 -50.52 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 44' ' ' ARG . 9.9 tp -77.34 -23.7 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.448 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.2 tmm_? -71.89 -63.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 m -52.92 -49.3 66.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.1 -45.77 11.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.98 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.45 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -48.59 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.2 t -39.85 104.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -40.33 -47.4 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 5.8 mp0 -118.05 99.48 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 20.3 m80 -33.76 98.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.793 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' CYS . 90.7 m -149.62 110.63 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' THR . 44.1 t -33.37 122.94 0.45 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 8.59 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' ' 55' ' ' CYS . 8.2 m -121.7 -64.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.31 168.9 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.04 103.42 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.416 ' CG ' HG21 ' A' ' 63' ' ' VAL . 16.8 tp60 -126.58 161.98 26.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.43 100.82 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 64.07 52.15 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG21 ' CG ' ' A' ' 60' ' ' GLN . 97.1 t -36.66 123.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -66.64 112.07 8.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -25.49 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.24 31.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -127.45 -38.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ALA . 21.5 mt -35.32 148.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LEU . 14.3 m -36.68 -50.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.1 138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.2 Cg_endo -69.79 102.6 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.312 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' PRO . 74.1 m -35.67 120.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -70.08 -56.95 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.451 179.986 . . . . . . . . 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 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -55.43 103.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -67.44 -58.14 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.65 -133.36 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -121.96 155.32 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -122.25 132.47 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.02 95.25 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 126.16 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -100.15 160.02 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.23 108.5 24.74 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.73 44.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -44.3 126.39 4.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 154.8 67.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LEU . 16.4 t70 -69.26 -56.83 6.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 3.7 pt-20 -39.48 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 3.5 mm? -83.78 33.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 mt -145.65 159.99 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.98 169.64 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -100.52 29.17 4.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 23.4 mt -125.3 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.41 -5.1 24.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 57.09 48.27 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.3 144.4 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.7 mt -38.63 133.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.0 mpp? -99.55 90.71 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' MET . 9.9 t -34.52 -45.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.41 ' N ' HG22 ' A' ' 26' ' ' THR . 5.3 t0 -126.74 74.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.94 104.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.0 m -103.72 117.33 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 69' ' ' SER . 2.4 p -102.08 119.55 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.508 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 9.0 tt -81.62 132.95 53.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.76 -44.42 2.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 28.4 p -32.02 -48.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.0 -52.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.1 97.74 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.447 ' ND2' HG22 ' A' ' 57' ' ' THR . 76.6 m-20 -155.45 153.04 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -93.94 131.21 39.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.476 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 51.6 m-85 -146.33 155.9 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 44.8 m -70.88 135.2 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -35.8 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.1 pp20? -95.56 -45.59 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -45.93 -40.57 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 44' ' ' ARG . 9.5 tp -80.4 -37.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' N ' HG21 ' A' ' 43' ' ' ILE . 2.7 ptm180 -63.27 -36.17 82.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.1 m -77.81 -40.07 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.9 -39.23 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.9 -51.57 15.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 49' ' ' GLU . 10.9 mp -60.75 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.5 pp20? -34.46 -40.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 99.6 p -107.8 103.26 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' ND1' ' A' ' 53' ' ' HIS . 5.2 m-20 -48.37 -37.82 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.81 -31.07 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 51' ' ' ASP . 43.2 m80 64.58 50.97 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -103.14 136.39 43.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 2.7 t -57.86 128.87 81.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.45 2.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.447 HG22 ' ND2' ' A' ' 36' ' ' ASN . 5.1 t -127.21 -32.96 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.428 ' N ' HG23 ' A' ' 57' ' ' THR . 15.4 p -128.76 168.03 16.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -85.28 64.97 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 8.2 tp60 -88.52 176.01 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -153.02 136.15 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER 36.81 54.02 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 64' ' ' SER . 64.1 t -54.66 143.23 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.471 ' N ' HG13 ' A' ' 63' ' ' VAL . 67.5 m -88.4 114.0 57.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.871 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.95 -37.22 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.06 -45.42 85.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 67' ' ' ALA . 43.8 mt -32.6 134.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.421 ' HB3' ' CG1' ' A' ' 30' ' ' VAL . 2.9 p -73.17 160.48 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 72' ' ' SER . . . 124.29 -101.58 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 10.39 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.367 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 70' ' ' GLY . 15.2 t -57.04 -61.03 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.1 t -60.39 -55.74 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.51 -179.933 . . . . . . . . 0 0 . 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 1.451 -0.358 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -86.23 91.67 8.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.816 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -119.37 151.44 38.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.06 173.96 23.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -97.46 -57.8 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 161.29 22.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.71 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.77 86.24 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.34 157.79 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -78.66 -64.27 0.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 10' ' ' ASP . 54.1 Cg_endo -69.75 163.74 37.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -96.1 125.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.641 0.734 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 156.55 62.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -67.01 -50.2 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 11.4 pt-20 -38.57 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ASP . 12.4 mt -87.8 -39.82 14.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 48.6 mt -90.24 165.28 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -77.23 164.46 25.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.55 39.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 82.8 mt -134.58 -70.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -102.26 -11.53 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 64.3 52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -134.09 143.32 47.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.2 mt -42.6 124.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -86.06 95.86 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -46.05 -43.13 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -128.01 79.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.88 133.84 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.5 m -134.93 128.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.43 123.86 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.518 ' O ' ' HA2' ' A' ' 35' ' ' GLY . 6.9 tt -83.91 134.46 44.05 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.73 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' PRO . 28.1 p -30.15 -51.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.08 -55.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.31 104.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -160.92 156.28 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 p -96.73 128.16 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.533 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 60.8 m-85 -146.99 149.83 33.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ASP . 57.3 m -61.74 137.04 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -35.09 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.18 -45.45 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 m -43.61 -49.74 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.487 HG21 ' N ' ' A' ' 44' ' ' ARG . 6.9 tp -75.28 -39.06 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.487 ' N ' HG21 ' A' ' 43' ' ' ILE . 9.9 tpp180 -54.6 -57.04 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' ALA . 44.1 m -60.71 -56.21 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.05 -56.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.1 mt -52.3 -44.14 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' THR . 51.9 mt -67.07 -58.57 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -39.02 -55.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 p -60.08 166.34 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.93 -61.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.75 70.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.8 m170 39.51 42.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -68.99 100.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.7 t -43.19 133.09 3.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.696 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.54 27.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 0.0 112.372 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -83.08 -58.41 2.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.4 p -118.99 174.96 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -89.69 103.69 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' CG ' HG21 ' A' ' 63' ' ' VAL . 20.8 tp60 -115.95 170.79 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.53 96.57 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t0 67.77 52.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 64' ' ' SER . 64.5 t -43.64 138.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 63' ' ' VAL . 26.2 m -81.14 111.26 22.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.4 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -49.18 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -44.3 -44.33 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 46.9 mt -35.8 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 122.68 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.87 92.95 1.5 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -21.06 34.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.3 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -56.71 105.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.1 m -90.47 134.78 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.482 -179.929 . . . . . . . . 0 0 . 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 -0.27 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -144.92 165.33 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -137.21 148.26 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.3 86.25 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -111.03 139.45 46.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -100.87 117.79 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.35 110.04 1.89 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -150.23 117.44 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -147.47 114.94 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -42.04 139.08 1.78 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.32 5.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 HG22 ' CD1' ' A' ' 16' ' ' LEU . 77.0 mt -89.07 134.05 34.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 170.06 17.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -66.96 -43.52 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -42.18 -29.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' CD1' HG22 ' A' ' 12' ' ' ILE . 12.7 mt -91.09 -36.63 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' C ' ' HE1' ' A' ' 25' ' ' MET . 62.3 mt -84.72 153.47 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 p -89.86 168.16 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.65 29.33 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 96.3 mt -125.81 -75.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.8 p -98.02 -6.45 31.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 58.94 53.05 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -126.82 142.3 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -43.33 118.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.413 ' HE1' ' C ' ' A' ' 17' ' ' LEU . 43.0 mtm -86.45 88.24 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -54.17 -35.87 62.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -126.15 45.07 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.96 126.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.16 128.71 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -92.45 119.1 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.5 tt -72.41 137.17 80.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.77 -51.51 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -29.81 -52.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -135.06 -56.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 123.2 93.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 76.3 m-20 -138.12 161.51 36.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 81.9 p -100.85 121.77 42.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 37' ' ' SER . 27.8 m-85 -147.47 150.68 35.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLU . 39.9 m -65.87 135.92 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.84 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.6 pt-20 -92.5 -48.28 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -39.67 -54.16 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 44' ' ' ARG . 8.0 tp -71.89 -30.39 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 43' ' ' ILE . 2.6 tmm_? -61.2 -59.44 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.9 m -62.54 -45.64 92.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.77 -46.52 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.35 -50.35 74.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.5 -56.11 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -45.11 133.56 6.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -45.43 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 41.3 mm-40 -134.82 53.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 6.9 m-70 34.71 44.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 84.2 m -86.11 121.57 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.6 t -43.21 122.55 3.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 5.8 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 m -115.07 -60.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.3 p -115.42 160.65 19.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -76.03 95.14 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.58 ' NE2' ' CG2' ' A' ' 63' ' ' VAL . 0.0 OUTLIER -137.65 171.42 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.413 ' ND2' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -89.68 -174.28 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 101.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.58 ' CG2' ' NE2' ' A' ' 60' ' ' GLN . 97.6 t -70.28 145.84 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.47 ' N ' HG11 ' A' ' 63' ' ' VAL . 25.2 t -73.78 129.13 85.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.69 0.757 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 9.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.222 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' A' ' 64' ' ' SER . 29.7 t70 -112.54 -36.7 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.43 46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.2 mt -129.07 119.9 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 68' ' ' LEU . 22.7 t 33.0 40.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.99 156.03 20.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 7.09 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -110.77 99.42 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -93.61 152.3 19.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.971 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -63.8 88.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -143.32 125.26 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.02 72.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -159.58 143.24 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p 44.21 42.8 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.73 138.47 2.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.95 141.91 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.76 143.44 47.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -109.85 114.56 56.34 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.53 0.681 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 171.53 14.3 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -41.41 126.09 2.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.29 69.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.85 -53.48 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' CG ' HD22 ' A' ' 16' ' ' LEU . 2.6 pt-20 -41.58 -26.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.5 mm? -84.07 30.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -144.11 149.54 36.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -76.65 168.96 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.21 30.65 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 42' ' ' CYS . 79.6 mt -124.29 -74.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 31.4 p -98.05 -5.37 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt 58.99 55.08 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.6 m-20 -136.58 145.37 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.9 mm -39.85 132.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.96 80.91 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -38.04 -41.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.29 81.22 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 137.18 18.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 m -140.9 120.79 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -91.17 114.08 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.495 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 6.6 tt -72.25 136.26 81.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.76 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.507 ' C ' ' O ' ' A' ' 32' ' ' PRO . 8.0 p -29.12 -53.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.02 -59.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 124.41 107.73 1.75 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -161.06 162.42 31.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 m -98.67 124.48 43.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.435 ' CD1' HD11 ' A' ' 20' ' ' ILE . 63.5 m-85 -145.73 147.37 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.6 m -57.08 134.76 56.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -33.83 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 36.0 tt0 -91.89 -50.9 5.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 20' ' ' ILE . 1.6 m -37.31 -48.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 44' ' ' ARG . 8.5 tp -79.9 -29.34 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -63.89 -56.62 13.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.8 m -67.18 -43.21 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -49.28 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.58 -49.14 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.53 -55.89 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -38.37 -57.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.96 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -58.73 174.74 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -100.64 -42.73 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' HIS . 15.6 mt-10 -111.12 52.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' GLU . 7.7 m170 33.71 46.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -74.67 137.04 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.19 135.14 47.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.622 0.725 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -14.26 36.0 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -98.65 -56.55 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.65 173.36 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -90.39 91.59 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -111.84 170.73 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.11 -46.08 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.62 106.39 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.61 108.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -70.21 119.73 73.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.748 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.13 -41.93 94.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.58 -47.78 63.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.4 mt -36.53 148.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.6 m -93.94 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -123.2 -154.46 9.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.338 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -119.27 146.15 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -96.62 -47.03 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.516 -179.999 . . . . . . . . 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 -0.286 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -109.33 168.68 9.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -86.14 113.36 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.77 -174.03 32.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -65.96 -56.88 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -85.47 158.33 20.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.787 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.56 -81.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -114.33 162.61 16.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.34 156.09 25.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.28 143.37 40.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mp -40.02 128.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.86 163.41 38.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.06 -42.37 94.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -20.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt -110.24 32.46 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -137.27 150.0 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -77.28 167.96 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.17 37.07 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.504 HD11 ' CD1' ' A' ' 38' ' ' TYR . 78.6 mt -134.17 -75.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 30.8 p -97.25 -6.27 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 58.1 55.01 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.1 m-20 -132.78 149.53 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -42.88 130.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -92.63 82.27 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.39 -38.36 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ALA . 39.0 t70 -130.25 43.4 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -35.51 133.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 43' ' ' ILE . 2.8 m -121.93 128.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.59 113.16 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.521 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.7 tt -76.62 135.47 68.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.2 Cg_endo -69.77 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 26.6 p -30.66 -50.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.04 -55.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.25 100.61 2.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -153.28 166.65 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.7 p -99.17 125.64 44.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.504 ' CD1' HD11 ' A' ' 20' ' ' ILE . 68.6 m-85 -147.27 149.27 32.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 42' ' ' CYS . 21.1 m -65.89 131.29 45.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -35.2 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 7.2 pt-20 -87.72 -38.23 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.6 m -55.19 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' ' 44' ' ' ARG . 6.1 tp -48.04 -28.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.478 ' N ' HG23 ' A' ' 43' ' ' ILE . 39.0 ttp180 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -56.31 -38.66 71.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 45' ' ' THR . . . -50.81 -44.32 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.3 mt -60.3 -42.78 96.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' GLU . 3.7 mm? -57.36 -46.42 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' LEU . 18.5 mt-10 -31.03 -62.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 75.0 m -97.51 115.1 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.9 p-10 -34.75 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' HIS . 12.9 mm-40 -97.8 109.0 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' GLU . 31.1 m170 -32.18 103.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -132.6 106.06 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 1.4 t -46.0 126.96 7.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.7 t -112.83 -32.1 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.3 p -130.07 158.57 39.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 53.2 t-80 -80.54 51.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 15.4 tp60 -59.52 174.82 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -40.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -163.22 138.01 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m -149.6 123.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.84 144.04 28.74 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.42 37.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.27 -41.22 57.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.75 91.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 79.6 mt -41.85 150.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 t -61.47 149.84 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.53 72.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 138.66 38.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.608 2.205 . . . . 0.0 112.353 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -88.69 -54.74 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -63.12 -57.92 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.496 -179.961 . . . . . . . . 0 0 . 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 -0.292 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -50.43 112.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -74.43 141.62 45.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.22 77.69 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -92.48 157.2 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -80.97 -51.81 8.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.41 109.17 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -132.48 129.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -174.22 156.47 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.79 139.73 23.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.59 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.86 126.08 89.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.727 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 170.72 16.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.3 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -68.55 -44.2 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.06 -24.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 mt -105.88 34.84 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ASP . 78.9 mt -139.99 158.2 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -78.18 162.16 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.1 31.93 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' TYR . 66.6 mt -126.41 -72.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.95 -0.12 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 53.47 44.7 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -123.79 142.32 51.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -40.58 131.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.63 98.15 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.806 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.475 HG21 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -44.66 -40.57 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' N ' HG21 ' A' ' 26' ' ' THR . 0.9 OUTLIER -130.75 75.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.41 103.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.4 m -106.23 123.0 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.97 114.69 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 8.1 tt -70.29 136.93 86.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.702 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.479 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.8 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.392 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -31.97 -53.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.5 p -135.02 -55.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 120.81 107.78 2.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -159.07 162.67 36.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -99.28 123.77 43.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.457 ' CD1' HD12 ' A' ' 20' ' ' ILE . 62.3 m-85 -145.31 135.95 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.893 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' CYS . 23.6 m -52.64 134.76 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.29 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 pm0 -93.33 -35.78 12.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.4 m -55.31 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 44' ' ' ARG . 7.1 tp -70.12 -42.51 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' N ' HG21 ' A' ' 43' ' ' ILE . 25.2 ttt180 -53.7 -52.38 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' LEU . 28.2 m -72.21 -46.95 54.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.64 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.59 -39.32 83.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' THR . 45.0 mt -71.79 -65.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.3 -27.45 9.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 20.6 t -79.82 92.51 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 3.1 m-20 -35.42 -41.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 1.3 pp20? -111.75 109.32 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -54.54 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 55' ' ' CYS . 96.1 m -161.17 115.33 2.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -35.63 126.45 0.62 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.64 2.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.409 HG23 ' SG ' ' A' ' 55' ' ' CYS . 5.1 t -124.22 -43.93 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.45 168.87 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -87.89 68.75 9.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -104.61 161.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 63' ' ' VAL . 0.4 OUTLIER -106.72 -179.61 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.3 t0 -33.6 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 61' ' ' ASN . 89.2 t -84.85 148.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -70.69 118.68 67.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -15.92 37.1 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.93 32.76 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -119.42 -40.16 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 67' ' ' ALA . 31.7 mt -36.5 147.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.6 p -54.34 158.65 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.4 84.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -140.16 108.55 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -110.93 -45.06 3.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.447 -179.96 . . . . . . . . 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 1.45 -0.395 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -135.22 136.05 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -60.37 176.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.58 124.3 4.36 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 47.87 41.72 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -89.67 113.05 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.38 -114.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -127.86 169.27 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -85.61 92.89 8.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.543 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -65.91 -57.29 14.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.636 0.731 . . . . 0.0 110.807 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 10' ' ' ASP . 53.3 Cg_endo -69.77 177.16 5.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.83 131.56 92.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HB2' ' CD ' ' A' ' 15' ' ' GLU . 54.4 Cg_endo -69.72 165.1 32.05 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -44.37 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' HB2' ' A' ' 13' ' ' PRO . 2.3 pm0 -48.1 -25.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt -89.3 -35.84 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -86.32 161.24 18.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.409 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 19.8 p -97.99 168.38 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -97.44 32.36 2.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 84.2 mt -128.96 -75.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -98.36 -5.41 32.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 60.26 46.11 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.83 141.49 52.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -45.21 115.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.409 ' CG ' ' HB3' ' A' ' 18' ' ' CYS . 50.4 mtm -75.75 94.88 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -48.45 -37.46 17.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.26 80.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.7 136.49 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 38' ' ' TYR . 4.2 m -137.58 133.76 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.44 117.25 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.521 ' CD1' ' SG ' ' A' ' 33' ' ' CYS . 10.6 tt -78.45 136.24 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.721 2.28 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CD1' ' A' ' 31' ' ' ILE . 25.1 p -31.57 -52.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.8 p -134.98 -53.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 105.82 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.2 m -96.85 128.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.563 ' CD1' ' CD1' ' A' ' 20' ' ' ILE . 51.7 m-85 -145.93 157.33 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' GLU . 61.5 m -66.36 136.21 55.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.24 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.3 tt0 -90.62 -50.6 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -37.42 -58.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 44' ' ' ARG . 7.5 tp -64.13 -30.85 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 43' ' ' ILE . 24.4 ttt85 -65.37 -44.45 87.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' ALA . 53.8 m -66.68 -60.42 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.63 -63.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -42.39 -48.05 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.8 mp -67.34 -58.7 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -43.58 -57.01 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 164.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.26 -57.58 5.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.78 77.44 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.7 m170 44.23 41.76 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 m -79.48 111.76 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.48 129.3 69.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.64 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.628 2.218 . . . . 0.0 112.389 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.9 m -118.8 -52.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.11 168.4 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -81.04 87.43 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -116.24 159.99 21.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -120.39 -39.36 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.96 124.02 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 64' ' ' SER . 97.3 t -124.83 136.82 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.443 ' N ' HG12 ' A' ' 63' ' ' VAL . 95.4 p -93.38 109.65 41.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 2.96 3.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.69 -45.36 6.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -50.92 -41.78 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -34.31 145.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.2 t -36.59 -46.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.61 110.22 2.65 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.54 10.31 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.6 m -69.88 128.68 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 m -150.9 127.31 10.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.5 -179.945 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -125.91 153.63 43.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -112.84 139.91 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.2 -46.88 1.05 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -160.63 144.35 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.388 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -121.02 120.35 35.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.51 51.99 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -84.3 42.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -158.57 158.3 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.52 135.32 3.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.33 8.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.322 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -44.74 132.64 5.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.176 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 174.56 9.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.281 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -31.05 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -57.75 -16.6 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -113.67 26.03 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.61 150.83 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -87.11 170.14 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.97 33.52 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.41 HD11 ' CD1' ' A' ' 38' ' ' TYR . 84.4 mt -130.37 -71.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -102.52 -0.16 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 50.42 54.57 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -132.86 143.55 49.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -44.04 127.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -97.18 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.0 t -54.02 -41.77 68.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.91 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.49 107.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG2' HG21 ' A' ' 43' ' ' ILE . 16.5 m -99.54 117.72 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 p -103.71 116.09 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.522 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 9.5 tt -71.7 136.31 83.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.63 -48.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.416 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.522 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 21.1 p -30.86 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.4 p -135.02 -54.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 125.95 94.18 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.622 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -139.98 145.13 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.909 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -93.33 127.27 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.622 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 41.6 m-85 -144.36 160.46 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' GLU . 56.4 m -71.72 138.74 48.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -37.95 -30.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 13.8 pt-20 -95.26 -45.43 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -43.22 -61.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.459 HG22 ' N ' ' A' ' 44' ' ' ARG . 10.2 tp -61.97 -27.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -66.98 -44.64 79.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' ALA . 60.5 m -76.31 -55.55 5.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.68 -60.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 mt -47.75 -47.17 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.1 mt -66.96 -61.09 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 48' ' ' LEU . 17.1 mt-10 -33.63 -52.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 11.3 t -68.07 134.86 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -35.25 -61.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.57 170.95 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -69.99 87.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' CYS . 19.5 m -129.73 99.08 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' THR . 53.6 t -37.23 127.6 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.1 34.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.608 2.205 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.44 ' HG1' ' ND2' ' A' ' 36' ' ' ASN . 39.3 m -94.08 -51.15 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 19.5 p -130.8 113.63 14.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.603 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 28.7 p-80 -37.2 104.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.748 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -120.73 139.84 52.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.748 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -62.56 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -147.88 127.48 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.9 t -115.12 120.41 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 t -67.24 119.97 68.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.711 0.767 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.1 9.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.42 -52.26 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -45.78 -44.79 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' ALA . 55.8 mt -34.13 148.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.6 137.04 57.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.15 84.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -8.54 23.87 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 t -52.99 130.0 32.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -45.35 120.28 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.458 -179.975 . . . . . . . . 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 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -151.22 152.75 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -156.18 161.96 40.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.85 -109.3 0.68 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.431 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 97.03 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -124.01 168.52 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.1 -62.7 0.64 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -102.6 84.04 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -134.71 104.71 6.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.36 126.02 53.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.3 14.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -37.8 131.73 0.89 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.63 -177.73 1.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.759 2.306 . . . . 0.0 112.345 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -96.51 -20.87 18.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.09 -12.17 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt -97.15 -22.91 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.07 160.52 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 p -92.08 -173.1 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -103.93 -22.8 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 21' ' ' CYS . 48.2 mt -75.26 -76.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.465 ' N ' HG21 ' A' ' 20' ' ' ILE . 14.0 p -99.99 13.18 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.4 46.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -121.81 148.52 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.7 mt -42.65 131.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.4 mtm -98.75 90.98 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -39.55 -44.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -128.17 87.42 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.73 128.3 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.4 m -127.87 119.02 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.73 118.06 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -80.69 135.91 52.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 111.192 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.4 Cg_endo -69.68 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 13.1 p -30.04 -52.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.98 -56.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.14 96.52 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -148.45 158.62 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 p -96.32 127.42 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -145.72 146.2 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASP . 40.2 m -61.34 136.26 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -34.97 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.58 -42.08 15.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -45.44 -67.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.0 -26.97 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -69.35 -32.87 72.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 57.5 m -89.41 -45.5 9.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.58 -42.98 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.6 mt -68.22 -42.89 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 49' ' ' GLU . 4.6 mm? -64.67 -57.74 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 48' ' ' LEU . 61.1 mm-40 -33.23 -65.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 26.2 p -67.79 143.29 55.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.5 m-20 -34.62 -45.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' THR . 36.0 mt-10 -130.09 169.26 15.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -56.59 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' GLU . 76.5 m -106.16 129.18 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -79.49 122.93 84.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.595 0.712 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.23 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 55' ' ' CYS . 1.2 t -128.73 -45.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.17 -7.49 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 24.8 m-70 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.71 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.16 95.27 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 74.91 53.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 64' ' ' SER . 59.5 t -49.88 159.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.426 ' N ' HG11 ' A' ' 63' ' ' VAL . 5.0 m -101.03 104.2 30.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.717 0.77 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 54.0 Cg_endo -69.71 0.79 5.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.59 -31.62 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -68.59 -43.56 76.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.2 mt -34.64 145.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -70.61 95.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.46 -173.61 41.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 131.81 21.96 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -77.44 170.41 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.4 m -81.0 -55.96 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.448 -179.894 . . . . . . . . 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' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -138.14 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.77 158.36 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.89 38.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.0 mt -133.01 -69.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -105.62 -4.66 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 56.64 50.49 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.22 141.73 50.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.6 mt -40.32 129.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -90.31 87.24 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -41.28 -36.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 29' ' ' VAL . 9.2 t70 -131.68 77.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.13 127.48 6.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.6 m -129.57 122.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.82 116.33 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.737 HD11 HG21 ' A' ' 63' ' ' VAL . 8.5 tt -76.51 137.17 67.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.77 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.301 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.3 p -30.88 -52.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 p -134.99 -55.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.24 106.3 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -157.82 160.06 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.6 p -94.9 122.45 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' O ' HG22 ' A' ' 29' ' ' VAL . 52.1 m-85 -145.11 146.35 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' ASP . 29.6 m -60.98 139.36 58.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.64 -35.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.6 pt-20 -90.86 -50.16 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.5 m -36.97 -56.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.582 HD11 HD12 ' A' ' 31' ' ' ILE . 4.5 tp -66.75 -30.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 32.6 ttm180 -65.01 -57.02 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 49' ' ' GLU . 92.4 m -61.79 -51.55 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.14 -64.72 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.8 mt -45.91 -35.56 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' THR . 61.0 mt -74.8 -51.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 45' ' ' THR . 38.2 mt-10 -34.07 -63.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 51.1 m -64.06 152.02 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -34.98 -50.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.01 176.43 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -61.63 82.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -121.69 96.83 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.8 t -39.01 138.02 0.86 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.13 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 m -57.27 -57.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.6 p -126.15 115.38 19.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 28.7 p-80 -45.74 99.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 9.0 tm0? -112.54 171.82 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.29 95.8 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.3 54.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 31' ' ' ILE . 7.3 p -63.29 118.21 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.0 m -40.78 101.44 0.24 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.66 0.743 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.57 28.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.626 2.217 . . . . 0.0 112.387 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -81.48 -36.9 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 mt -42.0 155.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.7 mt -130.12 153.5 48.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -81.18 162.39 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 42' ' ' CYS . 90.0 mt -120.07 -75.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -98.94 -4.44 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.95 45.26 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -127.44 145.42 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -41.11 132.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -95.23 98.22 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -48.51 -34.49 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.9 t70 -134.44 80.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.29 115.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 27' ' ' ASP . 26.4 m -118.96 133.99 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.91 114.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.682 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.8 tt -72.68 133.69 82.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.76 -41.97 3.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.342 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 31' ' ' ILE . 27.7 p -36.68 -53.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -134.98 -51.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 117.3 103.91 2.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.554 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -157.21 159.89 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -99.74 125.54 45.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -145.94 150.24 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 41' ' ' GLU . 29.2 m -63.08 133.85 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' CYS . 1.1 p-10 -35.54 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 39' ' ' CYS . 16.9 pt-20 -91.59 -45.4 8.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' HG22 ' A' ' 45' ' ' THR . 1.7 m -44.48 -67.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 tp -49.6 -37.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -65.74 -70.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 42' ' ' CYS . 1.9 t -42.46 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.17 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.15 -33.02 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -66.38 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 50' ' ' SER . 2.8 pp20? -49.12 -51.12 33.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.9 m -55.45 116.89 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' SER . 50.7 m-20 -34.16 -42.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.03 159.62 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.88 83.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -123.38 135.84 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.12 129.85 90.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 5.08 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -118.39 -60.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.07 159.54 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -75.84 87.75 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.662 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -107.74 139.01 42.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.662 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -64.23 -65.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 37.3 m-20 -150.13 119.89 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 31' ' ' ILE . 85.5 t -104.22 121.08 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -80.25 132.02 60.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -87.22 -45.98 10.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -55.2 -44.08 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.6 mt -37.34 137.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 29' ' ' VAL . 69.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 23' ' ' ASP . 85.0 mt -135.63 142.49 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.15 -173.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -104.46 -20.79 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.815 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.8 mt -72.83 -75.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' LYS . 31.1 p -100.17 8.87 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.6 55.1 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' ILE . 1.7 t70 -133.13 148.45 52.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -35.88 127.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.9 mpp? -93.59 93.02 7.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.1 t -46.93 -42.16 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' VAL . 7.3 m-20 -133.38 51.18 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -37.2 133.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 27' ' ' ASP . 5.1 m -133.09 127.85 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -87.89 126.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -82.75 137.21 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.695 0.759 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 14.3 p -29.54 -52.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.96 -57.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 101.44 1.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -152.51 162.95 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 19.3 m -92.44 121.4 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 37' ' ' SER . 40.9 m-85 -147.35 126.44 12.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ASP . 23.7 m -46.78 135.69 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 3.1 t0 -33.3 -36.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 7.1 pt-20 -89.15 -43.09 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.815 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.2 m -42.82 -58.42 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 31' ' ' ILE . 10.4 tp -63.95 -35.99 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -56.82 -58.98 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' ALA . 85.9 m -63.87 -55.99 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.24 -60.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD21 ' CG1' ' A' ' 63' ' ' VAL . 59.5 mt -50.07 -46.7 53.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 58.0 mt -65.53 -61.49 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -36.75 -58.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.9 m -55.49 178.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.17 -66.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 tp10 -172.29 117.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 62' ' ' ASP . 31.9 m170 38.15 47.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' GLN . 24.6 m -111.35 114.85 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.27 120.75 61.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.709 0.766 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -104.68 -57.05 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' HIS . 23.6 p -113.57 30.98 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 m80 33.03 44.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.656 ' O ' HG23 ' A' ' 54' ' ' THR . 10.5 tm0? -63.09 171.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.01 96.36 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' HA ' ' CB ' ' A' ' 53' ' ' HIS . 7.3 m-20 74.33 54.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.9 p -64.11 119.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.6 t -43.94 103.18 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -18.36 37.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -82.38 -44.63 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.15 -41.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . 42.2 mt -36.44 146.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.4 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -80.43 159.17 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -85.85 166.29 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.99 29.3 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.0 mt -123.69 -75.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 19.3 p -97.02 -9.73 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 62.66 54.91 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t70 -131.95 143.36 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.1 mt -46.03 121.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 32.4 mtm -90.9 95.89 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -49.05 -30.82 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.749 ' O ' HG13 ' A' ' 29' ' ' VAL . 12.4 t0 -132.46 72.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.29 109.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 27' ' ' ASP . 34.5 m -114.16 117.06 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -90.22 140.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 ' SG ' ' A' ' 33' ' ' CYS . 7.1 tt -99.36 136.36 20.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.74 -50.53 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HD13 ' A' ' 31' ' ' ILE . 10.9 p -30.56 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 p -134.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 128.28 64.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 9.6 m-20 -137.5 145.05 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -94.49 144.02 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 83.8 m-85 -147.66 163.12 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 78.7 m -59.05 133.99 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.95 -26.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' CYS . 5.3 tp10 -95.84 -51.7 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -36.73 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 29' ' ' VAL . 9.2 tp -56.71 -29.56 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -62.68 -51.74 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' LEU . 30.1 m -76.39 -48.09 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -33.95 -40.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.7 mt -75.23 -45.85 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 49' ' ' GLU . 23.4 mt -63.01 -56.48 16.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.5 tm-20 -32.05 -41.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -119.51 113.67 21.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 -31.26 14.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.88 -29.74 69.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 63.9 43.68 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.8 m -90.69 134.45 34.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.1 t -62.41 132.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 2.81 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.449 HG21 HD21 ' A' ' 36' ' ' ASN . 91.7 m -123.52 -65.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 p -95.16 166.67 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.69 83.99 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HG23 ' A' ' 63' ' ' VAL . 11.8 tm0? -110.01 164.86 12.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 -61.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 4.3 t70 -140.48 124.59 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.546 HG11 HD11 ' A' ' 31' ' ' ILE . 89.6 t -115.22 132.34 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -77.43 126.11 85.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.78 -41.98 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -52.6 -45.61 66.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' ALA . 45.3 mt -36.67 152.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -134.5 150.11 50.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.42 161.04 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.17 41.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.6 mt -134.5 -71.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 26.1 p -103.08 -10.76 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp 64.2 53.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 9.0 t0 -134.3 143.57 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.7 mt -40.79 124.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -80.55 91.85 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -45.61 -40.48 8.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.195 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.4 t70 -131.24 75.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.55 127.69 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 43' ' ' ILE . 7.5 m -132.63 124.84 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.98 118.29 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.605 HD12 HD11 ' A' ' 43' ' ' ILE . 7.6 tt -75.4 137.05 71.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.635 ' HG3' ' HB3' ' A' ' 67' ' ' ALA . 53.4 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 31' ' ' ILE . 20.9 p -31.48 -51.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 p -134.95 -55.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.02 100.42 1.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.476 ' OD1' HG21 ' A' ' 57' ' ' THR . 25.6 m120 -153.29 154.93 35.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.1 m -94.16 127.23 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.3 m-85 -146.28 155.92 43.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.9 m -65.97 136.81 56.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.25 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -94.83 -50.35 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -36.86 -50.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 31' ' ' ILE . 7.0 tp -76.71 -27.35 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' GLU . 12.1 ttm180 -66.42 -51.28 58.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 49' ' ' GLU . 95.3 m -71.97 -44.93 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.94 -41.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 53' ' ' HIS . 36.7 mt -64.84 -42.13 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.69 -47.11 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HG22 ' A' ' 45' ' ' THR . 24.7 mm-40 -51.45 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 m -53.1 158.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -54.46 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' HIS . 32.9 mp0 -132.51 81.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 47' ' ' LEU . 11.3 m170 32.98 42.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' CYS . 88.9 m -78.18 93.81 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' THR . 48.0 t -33.64 125.62 0.45 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 5.34 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.476 HG21 ' OD1' ' A' ' 36' ' ' ASN . 33.0 m -114.49 -58.28 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.3 p -121.78 165.4 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.29 91.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -112.66 168.96 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.19 105.29 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 67.53 54.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 31' ' ' ILE . 84.0 t -38.65 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.3 m -98.29 102.26 13.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.9 -27.34 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . . . -86.97 37.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.77 157.79 17.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -141.55 151.77 43.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -79.16 158.27 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.44 41.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.4 mt -134.96 -70.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -103.38 -9.52 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 61.16 50.97 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -129.24 140.54 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.0 mp -42.0 123.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -81.71 114.84 20.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.2 t -63.12 -44.26 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.694 ' O ' HG13 ' A' ' 29' ' ' VAL . 42.3 m-20 -128.49 79.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.15 118.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 27' ' ' ASP . 27.4 m -123.95 121.87 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -92.64 124.47 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 43' ' ' ILE . 8.8 tt -81.51 136.57 48.76 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 111.182 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.5 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.703 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -32.39 -50.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -135.09 -56.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.85 98.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -101.68 128.05 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -147.19 154.0 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLU . 66.3 m -65.87 135.29 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.48 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.5 pt-20 -90.11 -47.86 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -40.83 -57.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.797 HD11 HD12 ' A' ' 31' ' ' ILE . 5.7 tp -68.7 -39.51 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' HG23 ' A' ' 43' ' ' ILE . 12.5 ttm-85 -54.87 -66.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.6 m -57.02 -43.93 82.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.91 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.26 -43.57 81.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -52.7 -47.46 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.31 -45.11 89.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.9 p -76.64 96.83 4.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -44.3 -42.49 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 53' ' ' HIS . 43.4 mt-10 -94.34 44.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' GLU . 4.2 m-70 28.87 41.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.8 m -69.11 139.19 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 1.8 t -86.39 134.74 37.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.71 33.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -111.46 -32.74 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.407 ' SG ' ' CB ' ' A' ' 55' ' ' CYS . 13.9 p -127.74 169.03 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -89.55 72.26 7.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -93.96 166.98 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.61 -40.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -124.28 103.78 8.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.46 136.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.0 m -103.26 116.37 62.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.73 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.93 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.97 -36.64 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.42 43.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.35 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.862 0.363 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -142.35 151.01 41.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -75.35 163.13 27.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.8 37.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 42' ' ' CYS . 81.4 mt -130.85 -71.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.79 -7.76 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm 60.71 54.9 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -133.15 148.98 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -48.18 124.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -84.13 90.32 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -41.42 -40.82 1.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.3 m-20 -133.68 83.57 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.02 138.05 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 38' ' ' TYR . 12.7 m -136.92 118.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.29 117.3 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.662 HD12 HD11 ' A' ' 43' ' ' ILE . 7.2 tt -77.37 137.17 64.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.8 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD13 ' A' ' 31' ' ' ILE . 12.8 p -30.43 -52.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -134.98 -57.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.57 103.07 1.7 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -156.06 161.9 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -98.97 125.96 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.6 m-85 -145.41 149.14 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' ASP . 39.8 m -60.22 136.37 58.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -35.6 -34.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 3.1 pp20? -89.52 -48.39 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.587 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -40.0 -62.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 31' ' ' ILE . 9.6 tp -59.76 -42.12 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 ttm-85 -52.54 -51.76 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' LEU . 51.7 m -65.01 -53.06 52.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.17 -44.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HB3' ' ND1' ' A' ' 53' ' ' HIS . 80.2 mt -67.19 -41.71 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 42.0 mt -64.94 -59.39 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -40.14 -55.25 2.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -61.3 155.88 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 -47.65 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -110.1 44.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 47' ' ' LEU . 8.8 m170 41.99 42.81 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -68.77 135.29 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' H ' ' A' ' 57' ' ' THR . 39.9 t -75.37 131.71 77.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 9.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 55' ' ' CYS . 14.9 m -123.05 -63.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.3 157.4 21.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -72.32 97.94 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 63' ' ' VAL . 3.7 tp60 -123.35 167.68 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.11 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 68.49 51.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 60' ' ' GLN . 50.9 t -56.08 140.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -67.75 111.67 8.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.666 0.746 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.36 4.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.84 36.75 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.53 32.54 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 19.2 mt -112.49 156.79 22.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.95 145.4 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -72.9 167.89 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -101.24 33.44 2.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -131.88 -74.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.07 3.23 49.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.24 47.18 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -128.24 141.96 51.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.8 mt -38.64 129.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.4 mpp? -89.9 77.77 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 t -43.43 -36.3 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.5 m-20 -127.6 43.59 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -33.41 141.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.6 m -137.34 117.53 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.19 123.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.517 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.2 tt -88.43 135.85 32.24 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.72 -51.58 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.658 2.238 . . . . 0.0 112.361 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 24.1 p -28.79 -47.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -134.96 -55.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 144.22 -31.88 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 36' ' ' ASN . 1.7 m120 -39.59 142.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -105.72 148.07 27.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 42.7 m-85 -147.32 163.89 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLU . 25.0 m -64.85 134.23 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -37.35 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -93.27 -44.04 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.3 m -44.3 -72.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 44' ' ' ARG . 6.0 tp -54.47 -47.86 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.506 ' N ' HG23 ' A' ' 43' ' ' ILE . 29.9 ttp180 -41.15 -57.17 2.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.3 m -71.07 -49.01 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.1 -61.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.842 HD21 HG12 ' A' ' 63' ' ' VAL . 27.7 mt -46.47 -38.0 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' THR . 10.0 mp -75.64 -47.79 24.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG3' HG22 ' A' ' 45' ' ' THR . 35.7 mt-10 -38.6 -65.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ASP . 40.7 t -59.69 128.17 35.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . 25.9 t70 -34.39 -45.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -121.82 113.64 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.591 ' HB3' HD22 ' A' ' 47' ' ' LEU . 25.4 m80 -35.34 104.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 60' ' ' GLN . 87.7 m -148.02 112.28 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.8 t -33.52 132.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.14 2.38 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.6 m -124.2 -73.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 21.4 p -96.44 111.86 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 11.7 p80 -39.25 110.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.631 ' H ' HG23 ' A' ' 54' ' ' THR . 17.9 tp60 -130.22 171.47 12.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.62 98.19 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 55.92 53.93 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.842 HG12 HD21 ' A' ' 47' ' ' LEU . 4.2 p -43.72 121.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -43.05 105.39 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.667 0.746 . . . . 0.0 110.812 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.7 Cg_endo -69.84 -30.95 21.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -88.17 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.02 31.86 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.1 mt -109.3 153.94 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.896 0.379 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -140.79 156.16 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -78.58 159.83 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.47 41.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 42' ' ' CYS . 64.5 mt -134.26 -68.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 20.2 p -105.26 -10.71 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 63.73 55.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.1 t70 -136.91 141.85 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.1 mt -41.45 128.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.97 100.13 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -45.52 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.671 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 m-20 -134.32 74.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.75 123.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 38' ' ' TYR . 17.6 m -126.41 117.45 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.57 133.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.745 HD11 HG11 ' A' ' 63' ' ' VAL . 8.7 tt -98.63 133.92 22.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.76 -46.38 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.0 p -31.09 -48.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -132.83 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' ND2' ' A' ' 36' ' ' ASN . . . 122.37 82.51 0.62 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 11.7 m120 -152.2 152.38 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -97.23 139.98 32.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.8 m-85 -147.55 152.38 37.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 41' ' ' GLU . 47.4 m -57.36 133.58 55.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -36.36 -29.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 tt0 -92.96 -52.92 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -36.52 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -44.4 -38.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -65.75 -59.19 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -54.0 -33.66 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 53' ' ' HIS . 54.1 mt -50.3 -48.24 55.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 57.2 mt -62.05 -57.39 11.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' LEU . 41.6 mm-40 -32.8 -63.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' ASP . 88.9 p -69.98 130.82 43.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 2.8 m-20 -33.66 -42.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' HIS . 2.2 mp0 -130.32 133.21 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.703 ' HB3' HD22 ' A' ' 47' ' ' LEU . 6.5 m-70 -35.58 101.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.2 m -131.17 113.21 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -55.44 129.1 69.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.18 35.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.417 HG22 ' SG ' ' A' ' 55' ' ' CYS . 8.9 t -104.76 -35.12 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' CYS . 14.4 p -126.68 161.63 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -94.32 78.87 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.481 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 1.1 tp60 -89.24 179.16 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 101.44 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t0 60.93 54.97 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -46.25 143.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -87.45 109.44 26.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.09 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -97.57 -33.11 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 47.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 69' ' ' SER . 61.3 mt -119.59 137.37 53.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.871 0.367 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.6 159.93 21.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 25' ' ' MET . 14.4 p -68.87 169.92 10.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -103.15 36.75 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 42' ' ' CYS . 50.0 mt -132.05 -72.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' ILE . 22.9 p -99.4 -11.52 21.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.27 55.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -132.03 146.38 52.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 124.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 18' ' ' CYS . 3.0 mpp? -87.61 87.06 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -41.52 -37.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -130.74 48.04 2.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.15 123.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 27' ' ' ASP . 15.3 m -116.2 122.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 35' ' ' GLY . 94.2 t -81.87 130.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.575 HG13 HD21 ' A' ' 68' ' ' LEU . 5.1 tt -93.4 137.2 23.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.79 -52.55 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 17.5 p -29.5 -46.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.6 p -134.79 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.663 ' O ' HG13 ' A' ' 30' ' ' VAL . . . 147.12 -41.97 0.93 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-20 -36.79 147.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -111.67 155.78 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -147.2 163.34 36.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLU . 51.5 m -58.97 134.16 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -40.31 -25.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.6 tp10 -95.97 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.5 m -37.16 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.7 tp -53.64 -44.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.176 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 18.7 ttm180 -45.24 -45.77 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -48.98 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.98 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 53' ' ' HIS . 84.2 mt -50.84 -41.35 57.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -66.56 -57.73 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 3.2 mm-40 -36.77 -55.45 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.9 p -60.59 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -99.33 -47.99 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' HIS . 9.2 mp0 -116.13 49.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.875 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.5 m80 36.72 39.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.5 m -69.81 112.43 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 58' ' ' CYS . 3.7 t -39.28 134.35 1.16 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 6.16 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -131.5 -62.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 55' ' ' CYS . 20.5 p -90.38 147.49 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -76.05 82.64 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' CG ' HG22 ' A' ' 63' ' ' VAL . 9.0 tp60 -107.1 174.08 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.33 106.75 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 72.36 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 31' ' ' ILE . 85.1 t -52.63 150.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.0 m -93.51 107.01 23.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.679 0.752 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.44 16.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.37 -47.36 75.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.96 -44.73 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.575 HD21 HG13 ' A' ' 31' ' ' ILE . 57.0 mt -34.41 151.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.17 173.79 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -80.76 165.76 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 34.8 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 42' ' ' CYS . 74.3 mt -129.39 -73.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 28.8 p -102.06 -8.81 21.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.11 54.41 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 58.6 m-20 -131.96 144.37 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.02 124.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.649 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 3.0 mpp? -86.04 87.4 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 27' ' ' ASP . 8.5 t -48.36 -47.11 37.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.509 ' N ' HG23 ' A' ' 26' ' ' THR . 46.1 m-20 -120.81 40.94 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -32.06 142.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 43' ' ' ILE . 13.7 m -135.68 130.37 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.76 113.29 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 tt -70.83 136.21 85.4 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.72 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.9 p -31.33 -52.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.03 -55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 118.36 101.97 2.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.417 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 89.8 m-20 -150.45 169.02 22.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.628 ' HB2' ' HE2' ' A' ' 25' ' ' MET . 73.1 p -105.2 122.99 47.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 47.1 m-85 -146.22 149.73 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' CYS . 34.3 m -64.96 136.76 57.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.59 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -92.32 -37.27 12.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.555 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -51.38 -50.52 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.487 HG21 HG21 ' A' ' 29' ' ' VAL . 9.9 tp -77.34 -23.7 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -71.89 -63.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 m -52.92 -49.3 66.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.1 -45.77 11.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.98 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.45 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -48.59 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.2 t -39.85 104.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -40.33 -47.4 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 5.8 mp0 -118.05 99.48 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 20.3 m80 -33.76 98.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.793 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' CYS . 90.7 m -149.62 110.63 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' THR . 44.1 t -33.37 122.94 0.45 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 8.59 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 m -121.7 -64.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.31 168.9 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.04 103.42 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.89 ' HG2' HG22 ' A' ' 63' ' ' VAL . 16.8 tp60 -126.58 161.98 26.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.43 100.82 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 64.07 52.15 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.89 HG22 ' HG2' ' A' ' 60' ' ' GLN . 97.1 t -36.66 123.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -66.64 112.07 8.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -25.49 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.24 31.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -127.45 -38.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 31' ' ' ILE . 21.5 mt -35.32 148.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LEU . 14.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 mt -145.65 159.99 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.98 169.64 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -100.52 29.17 4.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 38' ' ' TYR . 23.4 mt -125.3 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.41 -5.1 24.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 57.09 48.27 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.3 144.4 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.7 mt -38.63 133.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.0 mpp? -99.55 90.71 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -34.52 -45.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.3 t0 -126.74 74.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.94 104.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.0 m -103.72 117.33 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' A' ' 69' ' ' SER . 2.4 p -102.08 119.55 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.837 HD11 HG11 ' A' ' 63' ' ' VAL . 9.0 tt -81.62 132.95 53.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.76 -44.42 2.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 28.4 p -32.02 -48.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.0 -52.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.1 97.74 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.474 ' OD1' HG21 ' A' ' 57' ' ' THR . 21.5 m120 -155.45 153.04 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -93.94 131.21 39.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.6 m-85 -146.33 155.9 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 44.8 m -70.88 135.2 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -35.8 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.1 pp20? -95.56 -45.59 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -45.93 -40.57 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.622 HG21 HG21 ' A' ' 29' ' ' VAL . 9.5 tp -80.4 -37.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ptm180 -63.27 -36.17 82.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.1 m -77.81 -40.07 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.9 -39.23 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.9 -51.57 15.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 44' ' ' ARG . 10.9 mp -60.75 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.5 pp20? -34.46 -40.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 99.6 p -107.8 103.26 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' ND1' ' A' ' 53' ' ' HIS . 5.2 m-20 -48.37 -37.82 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.81 -31.07 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 51' ' ' ASP . 43.2 m80 64.58 50.97 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' GLN . 28.2 m -103.14 136.39 43.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' HG22 ' A' ' 57' ' ' THR . 2.7 t -57.86 128.87 81.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.45 2.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.522 HG22 ' SG ' ' A' ' 55' ' ' CYS . 5.1 t -127.21 -32.96 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.4 p -128.76 168.03 16.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -85.28 64.97 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.62 ' HG3' HG22 ' A' ' 63' ' ' VAL . 8.2 tp60 -88.52 176.01 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -153.02 136.15 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER 36.81 54.02 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 31' ' ' ILE . 64.1 t -54.66 143.23 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.5 m -88.4 114.0 57.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.95 -37.22 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.06 -45.42 85.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 67' ' ' ALA . 43.8 mt -32.6 134.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.575 ' HB3' HG12 ' A' ' 30' ' ' VAL . 2.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.6 mt -90.24 165.28 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -77.23 164.46 25.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.55 39.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 82.8 mt -134.58 -70.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -102.26 -11.53 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 64.3 52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -134.09 143.32 47.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.2 mt -42.6 124.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -86.06 95.86 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -46.05 -43.13 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.3 m-20 -128.01 79.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.88 133.84 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 38' ' ' TYR . 11.5 m -134.93 128.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.43 123.86 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.707 HD11 HG11 ' A' ' 63' ' ' VAL . 6.9 tt -83.91 134.46 44.05 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.73 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' PRO . 28.1 p -30.15 -51.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.08 -55.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.31 104.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -160.92 156.28 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 p -96.73 128.16 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.8 m-85 -146.99 149.83 33.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ASP . 57.3 m -61.74 137.04 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -35.09 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.18 -45.45 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 m -43.61 -49.74 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 31' ' ' ILE . 6.9 tp -75.28 -39.06 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -54.6 -57.04 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' ALA . 44.1 m -60.71 -56.21 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.05 -56.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' HIS . 91.1 mt -52.3 -44.14 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' THR . 51.9 mt -67.07 -58.57 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -39.02 -55.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 p -60.08 166.34 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.93 -61.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.75 70.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.664 ' HB3' HD22 ' A' ' 47' ' ' LEU . 16.8 m170 39.51 42.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -68.99 100.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.7 t -43.19 133.09 3.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.696 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.54 27.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 0.0 112.372 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -83.08 -58.41 2.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.4 p -118.99 174.96 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -89.69 103.69 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.752 ' HG2' HG22 ' A' ' 63' ' ' VAL . 20.8 tp60 -115.95 170.79 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.53 96.57 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t0 67.77 52.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.752 HG22 ' HG2' ' A' ' 60' ' ' GLN . 64.5 t -43.64 138.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -81.14 111.26 22.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.4 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -49.18 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -44.3 -44.33 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 46.9 mt -35.8 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.929 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.694 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.72 153.47 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 p -89.86 168.16 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.65 29.33 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 42' ' ' CYS . 96.3 mt -125.81 -75.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 15.8 p -98.02 -6.45 31.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 58.94 53.05 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.9 t0 -126.82 142.3 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -43.33 118.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.694 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 43.0 mtm -86.45 88.24 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -54.17 -35.87 62.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.2 t0 -126.15 45.07 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -38.96 126.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 69' ' ' SER . 5.0 m -120.16 128.71 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -92.45 119.1 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.5 tt -72.41 137.17 80.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.77 -51.51 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -29.81 -52.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -135.06 -56.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 123.2 93.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.591 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 17.9 m120 -138.12 161.51 36.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 81.9 p -100.85 121.77 42.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 27.8 m-85 -147.47 150.68 35.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLU . 39.9 m -65.87 135.92 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.84 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.6 pt-20 -92.5 -48.28 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -39.67 -54.16 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.0 tp -71.89 -30.39 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 44' ' ' ARG . 2.6 tmm_? -61.2 -59.44 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 49' ' ' GLU . 20.9 m -62.54 -45.64 92.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.77 -46.52 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.35 -50.35 74.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HG2' HG22 ' A' ' 45' ' ' THR . 35.6 mm-40 -59.5 -56.11 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -45.11 133.56 6.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -45.43 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 41.3 mm-40 -134.82 53.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 6.9 m-70 34.71 44.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' GLN . 84.2 m -86.11 121.57 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.6 t -43.21 122.55 3.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 5.8 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 m -115.07 -60.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.3 p -115.42 160.65 19.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -76.03 95.14 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.524 ' OE1' HG22 ' A' ' 63' ' ' VAL . 4.1 tm0? -137.65 171.42 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' OD1' ' NE2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -89.68 -174.28 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 101.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.524 HG22 ' OE1' ' A' ' 60' ' ' GLN . 97.6 t -70.28 145.84 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 66' ' ' ASP . 25.2 t -73.78 129.13 85.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.69 0.757 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 9.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.222 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 64' ' ' SER . 29.7 t70 -112.54 -36.7 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.43 46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.2 mt -129.07 119.9 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.646 ' HB3' HG12 ' A' ' 29' ' ' VAL . 22.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -144.11 149.54 36.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -76.65 168.96 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.21 30.65 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 42' ' ' CYS . 79.6 mt -124.29 -74.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 31.4 p -98.05 -5.37 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt 58.99 55.08 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.6 m-20 -136.58 145.37 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.9 mm -39.85 132.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.96 80.91 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -38.04 -41.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 26' ' ' THR . 2.0 m-20 -130.29 81.22 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 137.18 18.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 43' ' ' ILE . 16.1 m -140.9 120.79 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -91.17 114.08 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 43' ' ' ILE . 6.6 tt -72.25 136.26 81.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.76 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.65 ' SG ' HD13 ' A' ' 31' ' ' ILE . 8.0 p -29.12 -53.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.02 -59.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 124.41 107.73 1.75 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -161.06 162.42 31.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 m -98.67 124.48 43.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -145.73 147.37 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.6 m -57.08 134.76 56.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -33.83 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 36.0 tt0 -91.89 -50.9 5.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.597 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -37.31 -48.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 31' ' ' ILE . 8.5 tp -79.9 -29.34 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -63.89 -56.62 13.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 49' ' ' GLU . 50.8 m -67.18 -43.21 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -49.28 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.58 -49.14 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.53 -55.89 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HG3' HG22 ' A' ' 45' ' ' THR . 49.3 mt-10 -38.37 -57.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -58.73 174.74 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -100.64 -42.73 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' HIS . 15.6 mt-10 -111.12 52.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' GLU . 7.7 m170 33.71 46.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -74.67 137.04 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.19 135.14 47.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.622 0.725 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -14.26 36.0 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -98.65 -56.55 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.65 173.36 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -90.39 91.59 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -111.84 170.73 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.11 -46.08 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.62 106.39 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.61 108.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -70.21 119.73 73.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.748 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.13 -41.93 94.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.58 -47.78 63.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.4 mt -36.53 148.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 29' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -137.27 150.0 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -77.28 167.96 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.17 37.07 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.554 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.6 mt -134.17 -75.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 30.8 p -97.25 -6.27 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 58.1 55.01 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.1 m-20 -132.78 149.53 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -42.88 130.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.543 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mpp? -92.63 82.27 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.39 -38.36 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ALA . 39.0 t70 -130.25 43.4 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 25' ' ' MET . . . -35.51 133.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 m -121.93 128.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.59 113.16 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.77 HD12 HD11 ' A' ' 43' ' ' ILE . 5.7 tt -76.62 135.47 68.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.2 Cg_endo -69.77 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 26.6 p -30.66 -50.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.04 -55.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.25 100.61 2.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -153.28 166.65 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.7 p -99.17 125.64 44.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -147.27 149.27 32.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 42' ' ' CYS . 21.1 m -65.89 131.29 45.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -35.2 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 7.2 pt-20 -87.72 -38.23 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -55.19 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 29' ' ' VAL . 6.1 tp -48.04 -28.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -56.31 -38.66 71.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 45' ' ' THR . . . -50.81 -44.32 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 13.3 mt -60.3 -42.78 96.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' GLU . 3.7 mm? -57.36 -46.42 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' LEU . 18.5 mt-10 -31.03 -62.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 75.0 m -97.51 115.1 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.9 p-10 -34.75 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' HIS . 12.9 mm-40 -97.8 109.0 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' GLU . 31.1 m170 -32.18 103.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -132.6 106.06 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 57' ' ' THR . 1.4 t -46.0 126.96 7.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.44 HG22 ' SG ' ' A' ' 55' ' ' CYS . 5.7 t -112.83 -32.1 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.421 ' HG ' ' CB ' ' A' ' 55' ' ' CYS . 14.3 p -130.07 158.57 39.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 53.2 t-80 -80.54 51.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 15.4 tp60 -59.52 174.82 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -40.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -163.22 138.01 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m -149.6 123.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.84 144.04 28.74 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.42 37.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.27 -41.22 57.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.75 91.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.555 HD21 HG13 ' A' ' 31' ' ' ILE . 79.6 mt -41.85 150.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -139.99 158.2 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -78.18 162.16 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.1 31.93 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.6 mt -126.41 -72.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.95 -0.12 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 53.47 44.7 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -123.79 142.32 51.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -40.58 131.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.63 98.15 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.806 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -44.66 -40.57 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.639 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -130.75 75.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.41 103.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 27' ' ' ASP . 17.4 m -106.23 123.0 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.97 114.69 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 33' ' ' CYS . 8.1 tt -70.29 136.93 86.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.702 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.8 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.392 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.5 p -31.97 -53.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.5 p -135.02 -55.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 120.81 107.78 2.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.476 ' OD1' HG21 ' A' ' 57' ' ' THR . 6.9 m120 -159.07 162.67 36.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -99.28 123.77 43.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -145.31 135.95 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' CYS . 23.6 m -52.64 134.76 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.29 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 pm0 -93.33 -35.78 12.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.4 m -55.31 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.1 tp -70.12 -42.51 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 43' ' ' ILE . 25.2 ttt180 -53.7 -52.38 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' LEU . 28.2 m -72.21 -46.95 54.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.64 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.59 -39.32 83.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' THR . 45.0 mt -71.79 -65.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.3 -27.45 9.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 20.6 t -79.82 92.51 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 3.1 m-20 -35.42 -41.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 1.3 pp20? -111.75 109.32 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -54.54 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 60' ' ' GLN . 96.1 m -161.17 115.33 2.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -35.63 126.45 0.62 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.64 2.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.476 HG21 ' OD1' ' A' ' 36' ' ' ASN . 5.1 t -124.22 -43.93 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 57' ' ' THR . 16.7 p -116.45 168.87 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -87.89 68.75 9.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 54' ' ' THR . 47.4 tp60 -104.61 161.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -106.72 -179.61 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.3 t0 -33.6 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.2 t -84.85 148.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -70.69 118.68 67.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -15.92 37.1 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.93 32.76 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -119.42 -40.16 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 67' ' ' ALA . 31.7 mt -36.5 147.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.829 0.347 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -86.32 161.24 18.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 19.8 p -97.99 168.38 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -97.44 32.36 2.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 84.2 mt -128.96 -75.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -98.36 -5.41 32.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 60.26 46.11 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.83 141.49 52.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -45.21 115.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.425 ' CG ' ' HB3' ' A' ' 18' ' ' CYS . 50.4 mtm -75.75 94.88 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -48.45 -37.46 17.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.26 80.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.7 136.49 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 38' ' ' TYR . 4.2 m -137.58 133.76 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.44 117.25 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.697 HD13 ' SG ' ' A' ' 33' ' ' CYS . 10.6 tt -78.45 136.24 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.721 2.28 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.697 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.1 p -31.57 -52.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.8 p -134.98 -53.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 105.82 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' HG21 ' A' ' 57' ' ' THR . 15.0 m120 -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 28.2 m -96.85 128.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.711 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.7 m-85 -145.93 157.33 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' GLU . 61.5 m -66.36 136.21 55.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.24 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.3 tt0 -90.62 -50.6 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -37.42 -58.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 29' ' ' VAL . 7.5 tp -64.13 -30.85 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD13 ' A' ' 48' ' ' LEU . 24.4 ttt85 -65.37 -44.45 87.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.51 HG22 ' CG ' ' A' ' 49' ' ' GLU . 53.8 m -66.68 -60.42 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.63 -63.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -42.39 -48.05 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 44' ' ' ARG . 7.8 mp -67.34 -58.7 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' HG22 ' A' ' 45' ' ' THR . 13.5 mm-40 -43.58 -57.01 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 164.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.26 -57.58 5.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.78 77.44 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.7 m170 44.23 41.76 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 m -79.48 111.76 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.48 129.3 69.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.64 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.628 2.218 . . . . 0.0 112.389 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.486 ' HG1' ' HH ' ' A' ' 38' ' ' TYR . 10.9 m -118.8 -52.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.11 168.4 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -81.04 87.43 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -116.24 159.99 21.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -120.39 -39.36 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.96 124.02 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -124.83 136.82 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 95.4 p -93.38 109.65 41.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.5 Cg_endo -69.86 2.96 3.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.69 -45.36 6.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -50.92 -41.78 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -34.31 145.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.2 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.61 150.83 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -87.11 170.14 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.97 33.52 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.4 mt -130.37 -71.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -102.52 -0.16 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 50.42 54.57 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -132.86 143.55 49.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -44.04 127.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -97.18 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 t -54.02 -41.77 68.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.6 m-20 -125.91 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.49 107.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.5 m -99.54 117.72 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' ASN . 2.7 p -103.71 116.09 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.701 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.5 tt -71.7 136.31 83.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.63 -48.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.416 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.701 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -30.86 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.4 p -135.02 -54.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 125.95 94.18 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.641 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -139.98 145.13 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.909 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -93.33 127.27 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' VAL . 41.6 m-85 -144.36 160.46 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' GLU . 56.4 m -71.72 138.74 48.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -37.95 -30.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 13.8 pt-20 -95.26 -45.43 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -43.22 -61.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.615 HG21 HG21 ' A' ' 29' ' ' VAL . 10.2 tp -61.97 -27.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.64 79.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 49' ' ' GLU . 60.5 m -76.31 -55.55 5.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.68 -60.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 mt -47.75 -47.17 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.1 mt -66.96 -61.09 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.484 ' HG3' HG22 ' A' ' 45' ' ' THR . 17.1 mt-10 -33.63 -52.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 11.3 t -68.07 134.86 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -35.25 -61.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.57 170.95 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.99 87.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' CYS . 19.5 m -129.73 99.08 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' THR . 53.6 t -37.23 127.6 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.1 34.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.608 2.205 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 m -94.08 -51.15 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 19.5 p -130.8 113.63 14.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.603 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 12.7 p80 -37.2 104.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.75 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -120.73 139.84 52.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.75 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -62.56 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -147.88 127.48 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -115.12 120.41 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 t -67.24 119.97 68.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.711 0.767 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.1 9.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.42 -52.26 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -45.78 -44.79 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' ALA . 55.8 mt -34.13 148.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.07 160.52 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 p -92.08 -173.1 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -103.93 -22.8 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 21' ' ' CYS . 48.2 mt -75.26 -76.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 20' ' ' ILE . 14.0 p -99.99 13.18 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.4 46.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -121.81 148.52 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.7 mt -42.65 131.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.4 mtm -98.75 90.98 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -39.55 -44.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -128.17 87.42 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.73 128.3 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 43' ' ' ILE . 26.4 m -127.87 119.02 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.73 118.06 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -80.69 135.91 52.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 111.192 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.4 Cg_endo -69.68 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 31' ' ' ILE . 13.1 p -30.04 -52.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.98 -56.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.14 96.52 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -148.45 158.62 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 p -96.32 127.42 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -145.72 146.2 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASP . 40.2 m -61.34 136.26 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -34.97 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.58 -42.08 15.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -45.44 -67.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 29' ' ' VAL . 10.9 tp -60.0 -26.97 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 48' ' ' LEU . 17.9 tpp180 -69.35 -32.87 72.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.637 HG22 ' HG2' ' A' ' 49' ' ' GLU . 57.5 m -89.41 -45.5 9.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.58 -42.98 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 53' ' ' HIS . 68.6 mt -68.22 -42.89 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 44' ' ' ARG . 4.6 mm? -64.67 -57.74 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' HG2' HG22 ' A' ' 45' ' ' THR . 61.1 mm-40 -33.23 -65.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 26.2 p -67.79 143.29 55.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.5 m-20 -34.62 -45.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' THR . 36.0 mt-10 -130.09 169.26 15.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.7 m170 -56.59 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' GLU . 76.5 m -106.16 129.18 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -79.49 122.93 84.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.595 0.712 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.23 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -128.73 -45.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.203 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.17 -7.49 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 24.8 m-70 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -55.71 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.16 95.27 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 74.91 53.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.603 HG22 ' OE1' ' A' ' 60' ' ' GLN . 59.5 t -49.88 159.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.52 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.0 m -101.03 104.2 30.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.717 0.77 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 54.0 Cg_endo -69.71 0.79 5.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.59 -31.62 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -68.59 -43.56 76.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.2 mt -34.64 145.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 49.06 42.18 20.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -111.22 -44.75 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 -179.23 16.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.44 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 59.56 41.87 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -89.53 92.61 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.66 130.56 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -87.4 138.65 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -117.76 161.91 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.22 129.38 25.65 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' ILE . 54.4 Cg_endo -69.68 173.68 10.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' PRO . 97.0 mt -35.04 124.9 0.56 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.48 45.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.63 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.49 -45.53 92.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -42.28 -25.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 14' ' ' ASP . 39.9 mt -100.9 33.48 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 14' ' ' ASP . 70.3 mt -138.14 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.77 158.36 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.89 38.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.0 mt -133.01 -69.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -105.62 -4.66 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 56.64 50.49 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.22 141.73 50.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.6 mt -40.32 129.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -90.31 87.24 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -41.28 -36.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 29' ' ' VAL . 9.2 t70 -131.68 77.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.13 127.48 6.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.6 m -129.57 122.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.82 116.33 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.737 HD11 HG21 ' A' ' 63' ' ' VAL . 8.5 tt -76.51 137.17 67.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.77 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.301 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.3 p -30.88 -52.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 p -134.99 -55.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.24 106.3 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -157.82 160.06 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.6 p -94.9 122.45 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' O ' HG22 ' A' ' 29' ' ' VAL . 52.1 m-85 -145.11 146.35 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' ASP . 29.6 m -60.98 139.36 58.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.64 -35.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.6 pt-20 -90.86 -50.16 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.5 m -36.97 -56.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.582 HD11 HD12 ' A' ' 31' ' ' ILE . 4.5 tp -66.75 -30.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 32.6 ttm180 -65.01 -57.02 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 49' ' ' GLU . 92.4 m -61.79 -51.55 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.14 -64.72 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.8 mt -45.91 -35.56 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' THR . 61.0 mt -74.8 -51.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 45' ' ' THR . 38.2 mt-10 -34.07 -63.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 51.1 m -64.06 152.02 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -34.98 -50.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.01 176.43 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -61.63 82.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -121.69 96.83 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.8 t -39.01 138.02 0.86 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.13 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.3 m -57.27 -57.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.6 p -126.15 115.38 19.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 28.7 p-80 -45.74 99.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 9.0 tm0? -112.54 171.82 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.29 95.8 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.3 54.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 31' ' ' ILE . 7.3 p -63.29 118.21 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.0 m -40.78 101.44 0.24 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.66 0.743 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.57 28.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.626 2.217 . . . . 0.0 112.387 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -81.48 -36.9 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 mt -42.0 155.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 p -75.96 49.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -129.76 97.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 70' ' ' GLY . 53.7 Cg_endo -69.77 -10.14 27.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.601 2.201 . . . . 0.0 112.331 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -87.07 41.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.1 m 60.22 41.4 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.584 -179.94 . . . . . . . . 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 -0.313 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -84.44 131.55 34.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -84.99 85.88 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.72 -87.19 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m 60.57 41.81 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -75.41 156.21 35.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.68 -175.75 14.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.88 151.39 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -81.66 172.99 12.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.62 126.25 62.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 158.36 57.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG13 HD11 ' A' ' 24' ' ' ILE . 27.4 mm -40.18 124.55 1.69 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.8 Cg_endo -69.75 162.21 42.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 17' ' ' LEU . 23.3 t0 -65.92 -40.47 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -49.41 -18.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 13' ' ' PRO . 44.0 mt -109.66 31.48 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 14' ' ' ASP . 94.7 mt -130.12 153.5 48.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -81.18 162.39 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 42' ' ' CYS . 90.0 mt -120.07 -75.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -98.94 -4.44 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.95 45.26 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -127.44 145.42 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.424 HD11 HG13 ' A' ' 12' ' ' ILE . 60.8 mt -41.11 132.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -95.23 98.22 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -48.51 -34.49 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.9 t70 -134.44 80.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.29 115.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 27' ' ' ASP . 26.4 m -118.96 133.99 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.91 114.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.682 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.8 tt -72.68 133.69 82.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.76 -41.97 3.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.342 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 31' ' ' ILE . 27.7 p -36.68 -53.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -134.98 -51.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 117.3 103.91 2.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.554 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -157.21 159.89 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -99.74 125.54 45.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -145.94 150.24 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 41' ' ' GLU . 29.2 m -63.08 133.85 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' CYS . 1.1 p-10 -35.54 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 39' ' ' CYS . 16.9 pt-20 -91.59 -45.4 8.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' HG22 ' A' ' 45' ' ' THR . 1.7 m -44.48 -67.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 tp -49.6 -37.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -65.74 -70.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 42' ' ' CYS . 1.9 t -42.46 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.17 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.15 -33.02 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -66.38 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 50' ' ' SER . 2.8 pp20? -49.12 -51.12 33.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.9 m -55.45 116.89 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' SER . 50.7 m-20 -34.16 -42.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.03 159.62 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.88 83.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -123.38 135.84 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.12 129.85 90.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 5.08 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -118.39 -60.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.07 159.54 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -75.84 87.75 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.662 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -107.74 139.01 42.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.662 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -64.23 -65.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 37.3 m-20 -150.13 119.89 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 31' ' ' ILE . 85.5 t -104.22 121.08 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -80.25 132.02 60.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -87.22 -45.98 10.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -55.2 -44.08 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.6 mt -37.34 137.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 29' ' ' VAL . 69.0 p -57.99 143.11 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.09 -134.25 2.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.03 12.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -82.43 145.54 29.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.9 m -121.32 119.89 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.467 179.999 . . . . . . . . 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 1.452 -0.288 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -109.34 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -53.17 -46.69 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.85 170.24 30.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -151.61 134.6 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -71.15 154.46 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.9 87.94 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -85.31 89.44 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -93.34 161.43 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -127.31 131.35 23.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 163.94 36.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mm -46.4 127.32 7.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.5 Cg_endo -69.79 169.98 17.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.7 t0 -67.65 -41.87 83.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -46.81 -21.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 13' ' ' PRO . 23.1 mt -108.22 32.98 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 14' ' ' ASP . 85.0 mt -135.63 142.49 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.15 -173.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -104.46 -20.79 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.815 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.8 mt -72.83 -75.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' LYS . 31.1 p -100.17 8.87 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.6 55.1 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' ILE . 1.7 t70 -133.13 148.45 52.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -35.88 127.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.9 mpp? -93.59 93.02 7.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.1 t -46.93 -42.16 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' VAL . 7.3 m-20 -133.38 51.18 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -37.2 133.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 27' ' ' ASP . 5.1 m -133.09 127.85 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -87.89 126.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -82.75 137.21 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.695 0.759 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 14.3 p -29.54 -52.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.96 -57.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 101.44 1.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -152.51 162.95 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 19.3 m -92.44 121.4 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 37' ' ' SER . 40.9 m-85 -147.35 126.44 12.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ASP . 23.7 m -46.78 135.69 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 3.1 t0 -33.3 -36.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 7.1 pt-20 -89.15 -43.09 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.815 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.2 m -42.82 -58.42 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 31' ' ' ILE . 10.4 tp -63.95 -35.99 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -56.82 -58.98 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' ALA . 85.9 m -63.87 -55.99 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.24 -60.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD21 ' CG1' ' A' ' 63' ' ' VAL . 59.5 mt -50.07 -46.7 53.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 58.0 mt -65.53 -61.49 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -36.75 -58.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.9 m -55.49 178.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.17 -66.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 tp10 -172.29 117.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 62' ' ' ASP . 31.9 m170 38.15 47.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' GLN . 24.6 m -111.35 114.85 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.27 120.75 61.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.709 0.766 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -104.68 -57.05 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' HIS . 23.6 p -113.57 30.98 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 m80 33.03 44.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.656 ' O ' HG23 ' A' ' 54' ' ' THR . 10.5 tm0? -63.09 171.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -128.01 96.36 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' HA ' ' CB ' ' A' ' 53' ' ' HIS . 7.3 m-20 74.33 54.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.9 p -64.11 119.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.6 t -43.94 103.18 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -18.36 37.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -82.38 -44.63 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.15 -41.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . 42.2 mt -36.44 146.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -65.0 156.53 31.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.22 154.75 7.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -30.14 22.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -111.13 130.12 55.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.5 t -134.12 147.23 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.424 179.989 . . . . . . . . 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 -0.313 0 N-CA-C 112.383 -0.287 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -59.29 114.34 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -63.9 125.22 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.13 -94.38 0.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -81.45 151.81 27.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -49.55 -50.06 43.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 161.07 34.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.1 160.04 29.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.49 146.13 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.4 139.8 26.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 159.04 54.88 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -83.32 120.2 75.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 169.12 19.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 25.1 m-20 -71.99 -50.59 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' ASP . 17.4 pt-20 -37.05 -30.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.4 mt -84.47 -42.05 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' ASP . 75.6 mt -80.43 159.17 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -85.85 166.29 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.99 29.3 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.0 mt -123.69 -75.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 19.3 p -97.02 -9.73 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 62.66 54.91 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t70 -131.95 143.36 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.1 mt -46.03 121.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 32.4 mtm -90.9 95.89 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -49.05 -30.82 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.749 ' O ' HG13 ' A' ' 29' ' ' VAL . 12.4 t0 -132.46 72.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.29 109.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 27' ' ' ASP . 34.5 m -114.16 117.06 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -90.22 140.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 ' SG ' ' A' ' 33' ' ' CYS . 7.1 tt -99.36 136.36 20.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.74 -50.53 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HD13 ' A' ' 31' ' ' ILE . 10.9 p -30.56 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 p -134.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 128.28 64.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 9.6 m-20 -137.5 145.05 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -94.49 144.02 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 83.8 m-85 -147.66 163.12 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 78.7 m -59.05 133.99 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.95 -26.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' CYS . 5.3 tp10 -95.84 -51.7 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -36.73 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 29' ' ' VAL . 9.2 tp -56.71 -29.56 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -62.68 -51.74 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' LEU . 30.1 m -76.39 -48.09 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -33.95 -40.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.7 mt -75.23 -45.85 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 49' ' ' GLU . 23.4 mt -63.01 -56.48 16.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.5 tm-20 -32.05 -41.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -119.51 113.67 21.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 -31.26 14.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.88 -29.74 69.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 63.9 43.68 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.8 m -90.69 134.45 34.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.1 t -62.41 132.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 2.81 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.449 HG21 HD21 ' A' ' 36' ' ' ASN . 91.7 m -123.52 -65.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 p -95.16 166.67 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.69 83.99 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HG23 ' A' ' 63' ' ' VAL . 11.8 tm0? -110.01 164.86 12.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 -61.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 4.3 t70 -140.48 124.59 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.546 HG11 HD11 ' A' ' 31' ' ' ILE . 89.6 t -115.22 132.34 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -77.43 126.11 85.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.78 -41.98 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -52.6 -45.61 66.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' ALA . 45.3 mt -36.67 152.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 m -85.23 86.64 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.97 129.31 1.04 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.79 13.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.285 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -137.64 146.83 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 t -128.39 119.75 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.483 -179.962 . . . . . . . . 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 -0.332 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -110.75 131.08 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.375 . . . . 0.0 110.84 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -108.62 99.98 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 159.68 13.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 p -119.52 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -130.44 117.55 19.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.17 62.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -94.7 119.74 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -106.65 163.0 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -132.2 123.27 18.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 179.44 3.67 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -52.53 129.83 44.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -73.79 -40.06 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.54 -25.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -97.84 28.44 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ASP . 96.3 mt -134.5 150.11 50.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.42 161.04 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.17 41.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.6 mt -134.5 -71.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 26.1 p -103.08 -10.76 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp 64.2 53.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 9.0 t0 -134.3 143.57 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.7 mt -40.79 124.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -80.55 91.85 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -45.61 -40.48 8.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.195 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.4 t70 -131.24 75.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.55 127.69 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 43' ' ' ILE . 7.5 m -132.63 124.84 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.98 118.29 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.605 HD12 HD11 ' A' ' 43' ' ' ILE . 7.6 tt -75.4 137.05 71.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.635 ' HG3' ' HB3' ' A' ' 67' ' ' ALA . 53.4 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 31' ' ' ILE . 20.9 p -31.48 -51.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 p -134.95 -55.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.02 100.42 1.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.476 ' OD1' HG21 ' A' ' 57' ' ' THR . 25.6 m120 -153.29 154.93 35.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.1 m -94.16 127.23 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.3 m-85 -146.28 155.92 43.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.9 m -65.97 136.81 56.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.25 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -94.83 -50.35 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -36.86 -50.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 31' ' ' ILE . 7.0 tp -76.71 -27.35 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' GLU . 12.1 ttm180 -66.42 -51.28 58.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 49' ' ' GLU . 95.3 m -71.97 -44.93 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.94 -41.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 53' ' ' HIS . 36.7 mt -64.84 -42.13 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.69 -47.11 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HG22 ' A' ' 45' ' ' THR . 24.7 mm-40 -51.45 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 m -53.1 158.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -54.46 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' HIS . 32.9 mp0 -132.51 81.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 47' ' ' LEU . 11.3 m170 32.98 42.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' CYS . 88.9 m -78.18 93.81 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' THR . 48.0 t -33.64 125.62 0.45 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 5.34 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.476 HG21 ' OD1' ' A' ' 36' ' ' ASN . 33.0 m -114.49 -58.28 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.3 p -121.78 165.4 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.29 91.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -112.66 168.96 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.19 105.29 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 67.53 54.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 31' ' ' ILE . 84.0 t -38.65 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.3 m -98.29 102.26 13.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.9 -27.34 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . . . -86.97 37.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.77 157.79 17.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m -83.84 44.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.53 -77.31 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.75 12.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -66.54 -52.96 40.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 p -42.37 140.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.459 -179.967 . . . . . . . . 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 1.45 -0.373 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -142.62 157.24 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -101.23 122.52 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.39 82.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -122.04 137.36 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -164.66 158.88 18.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.36 -48.84 11.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -121.38 112.63 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -86.65 84.74 7.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -142.42 134.33 13.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.528 0.68 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -81.11 130.71 61.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.675 ' HG2' HD12 ' A' ' 16' ' ' LEU . 54.5 Cg_endo -69.72 169.38 19.0 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.721 2.28 . . . . 0.0 112.388 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.776 ' HA ' HD12 ' A' ' 17' ' ' LEU . 11.3 t0 -71.04 -47.19 59.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -41.91 -28.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 ' HG2' ' A' ' 13' ' ' PRO . 21.4 mt -100.52 38.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 14' ' ' ASP . 61.4 mt -141.55 151.77 43.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -79.16 158.27 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.44 41.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.4 mt -134.96 -70.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -103.38 -9.52 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 61.16 50.97 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -129.24 140.54 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.0 mp -42.0 123.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -81.71 114.84 20.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.2 t -63.12 -44.26 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.694 ' O ' HG13 ' A' ' 29' ' ' VAL . 42.3 m-20 -128.49 79.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.15 118.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 27' ' ' ASP . 27.4 m -123.95 121.87 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -92.64 124.47 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 43' ' ' ILE . 8.8 tt -81.51 136.57 48.76 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 111.182 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.5 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.703 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -32.39 -50.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -135.09 -56.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.85 98.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -101.68 128.05 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -147.19 154.0 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLU . 66.3 m -65.87 135.29 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.48 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.5 pt-20 -90.11 -47.86 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -40.83 -57.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.797 HD11 HD12 ' A' ' 31' ' ' ILE . 5.7 tp -68.7 -39.51 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' HG23 ' A' ' 43' ' ' ILE . 12.5 ttm-85 -54.87 -66.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.6 m -57.02 -43.93 82.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.91 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.26 -43.57 81.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -52.7 -47.46 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.31 -45.11 89.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.9 p -76.64 96.83 4.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -44.3 -42.49 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 53' ' ' HIS . 43.4 mt-10 -94.34 44.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' GLU . 4.2 m-70 28.87 41.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.8 m -69.11 139.19 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 1.8 t -86.39 134.74 37.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.71 33.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -111.46 -32.74 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 55' ' ' CYS . 13.9 p -127.74 169.03 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -89.55 72.26 7.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -93.96 166.98 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.61 -40.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -124.28 103.78 8.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.46 136.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.0 m -103.26 116.37 62.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.73 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.93 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.97 -36.64 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.42 43.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.35 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -96.51 87.35 4.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.18 123.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.28 16.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -105.45 169.57 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.9 p -166.44 169.69 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.436 179.927 . . . . . . . . 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 -0.343 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -129.11 172.86 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -143.17 119.89 11.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.87 74.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -131.73 135.64 46.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -97.77 134.27 41.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.13 84.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.59 133.75 47.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -133.23 159.55 39.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -126.19 126.37 24.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.749 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 170.26 17.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -46.79 131.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.07 25.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.742 2.295 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 17' ' ' LEU . 39.8 t0 -66.2 -41.02 90.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.8 -27.04 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -103.5 32.66 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 14' ' ' ASP . 54.4 mt -142.35 151.01 41.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -75.35 163.13 27.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.8 37.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 42' ' ' CYS . 81.4 mt -130.85 -71.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.79 -7.76 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm 60.71 54.9 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -133.15 148.98 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -48.18 124.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -84.13 90.32 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -41.42 -40.82 1.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.3 m-20 -133.68 83.57 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.02 138.05 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 38' ' ' TYR . 12.7 m -136.92 118.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.29 117.3 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.662 HD12 HD11 ' A' ' 43' ' ' ILE . 7.2 tt -77.37 137.17 64.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.8 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD13 ' A' ' 31' ' ' ILE . 12.8 p -30.43 -52.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -134.98 -57.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.57 103.07 1.7 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -156.06 161.9 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -98.97 125.96 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.6 m-85 -145.41 149.14 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' ASP . 39.8 m -60.22 136.37 58.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -35.6 -34.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 3.1 pp20? -89.52 -48.39 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.587 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -40.0 -62.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 31' ' ' ILE . 9.6 tp -59.76 -42.12 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 ttm-85 -52.54 -51.76 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' LEU . 51.7 m -65.01 -53.06 52.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.17 -44.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HB3' ' ND1' ' A' ' 53' ' ' HIS . 80.2 mt -67.19 -41.71 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 42.0 mt -64.94 -59.39 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -40.14 -55.25 2.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -61.3 155.88 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 -47.65 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -110.1 44.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 47' ' ' LEU . 8.8 m170 41.99 42.81 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -68.77 135.29 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' H ' ' A' ' 57' ' ' THR . 39.9 t -75.37 131.71 77.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 9.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 55' ' ' CYS . 14.9 m -123.05 -63.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.3 157.4 21.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -72.32 97.94 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 63' ' ' VAL . 3.7 tp60 -123.35 167.68 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.11 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 68.49 51.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 60' ' ' GLN . 50.9 t -56.08 140.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -67.75 111.67 8.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.666 0.746 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.36 4.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.84 36.75 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.53 32.54 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 19.2 mt -112.49 156.79 22.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t -74.88 110.8 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 175.45 -140.58 5.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.293 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.6 m -67.18 -55.03 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.8 p -60.18 139.92 57.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.527 179.976 . . . . . . . . 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 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -162.37 122.51 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -90.95 151.59 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.42 145.73 17.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 m -50.5 141.95 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 m -57.02 175.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.91 54.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -46.45 151.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -126.83 154.32 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.04 125.75 67.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.701 0.762 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 159.93 51.63 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.58 120.22 39.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HG2' HD12 ' A' ' 16' ' ' LEU . 54.0 Cg_endo -69.69 163.92 36.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -65.9 -33.12 75.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -56.96 -20.12 21.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 13' ' ' PRO . 23.8 mt -109.77 19.87 18.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.95 145.4 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -72.9 167.89 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -101.24 33.44 2.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -131.88 -74.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.07 3.23 49.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.24 47.18 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -128.24 141.96 51.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.8 mt -38.64 129.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.4 mpp? -89.9 77.77 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 t -43.43 -36.3 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.5 m-20 -127.6 43.59 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -33.41 141.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.6 m -137.34 117.53 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.19 123.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.517 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.2 tt -88.43 135.85 32.24 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.72 -51.58 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.658 2.238 . . . . 0.0 112.361 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 24.1 p -28.79 -47.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -134.96 -55.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 144.22 -31.88 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 36' ' ' ASN . 1.7 m120 -39.59 142.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -105.72 148.07 27.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 42.7 m-85 -147.32 163.89 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLU . 25.0 m -64.85 134.23 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -37.35 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -93.27 -44.04 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.3 m -44.3 -72.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 44' ' ' ARG . 6.0 tp -54.47 -47.86 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.506 ' N ' HG23 ' A' ' 43' ' ' ILE . 29.9 ttp180 -41.15 -57.17 2.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.3 m -71.07 -49.01 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.1 -61.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.842 HD21 HG12 ' A' ' 63' ' ' VAL . 27.7 mt -46.47 -38.0 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' THR . 10.0 mp -75.64 -47.79 24.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG3' HG22 ' A' ' 45' ' ' THR . 35.7 mt-10 -38.6 -65.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ASP . 40.7 t -59.69 128.17 35.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . 25.9 t70 -34.39 -45.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -121.82 113.64 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.591 ' HB3' HD22 ' A' ' 47' ' ' LEU . 25.4 m80 -35.34 104.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 60' ' ' GLN . 87.7 m -148.02 112.28 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.8 t -33.52 132.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.14 2.38 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.6 m -124.2 -73.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.174 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 21.4 p -96.44 111.86 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.565 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 11.7 p80 -39.25 110.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.631 ' H ' HG23 ' A' ' 54' ' ' THR . 17.9 tp60 -130.22 171.47 12.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.62 98.19 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 55.92 53.93 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.842 HG12 HD21 ' A' ' 47' ' ' LEU . 4.2 p -43.72 121.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -43.05 105.39 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.667 0.746 . . . . 0.0 110.812 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.7 Cg_endo -69.84 -30.95 21.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -88.17 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.02 31.86 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.1 mt -109.3 153.94 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.5 t -37.51 -40.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.54 46.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.3 Cg_endo -69.75 7.82 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.413 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 71' ' ' PRO . 53.2 p -29.97 -48.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' SER . 42.5 p -34.02 -56.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.466 -179.999 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 p -81.71 46.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -83.78 146.19 28.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -153.06 24.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.548 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -153.36 168.85 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -47.97 169.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 157.79 22.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -91.6 137.09 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.61 168.69 20.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.16 137.02 22.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.556 0.693 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 168.04 22.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.45 129.43 88.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.764 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.8 Cg_endo -69.72 170.85 15.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.99 -42.85 56.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -46.23 -23.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.764 HD12 ' HG2' ' A' ' 13' ' ' PRO . 21.2 mt -101.25 34.27 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 14' ' ' ASP . 76.2 mt -140.79 156.16 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -78.58 159.83 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.47 41.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 42' ' ' CYS . 64.5 mt -134.26 -68.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 20.2 p -105.26 -10.71 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 63.73 55.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.1 t70 -136.91 141.85 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.1 mt -41.45 128.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.97 100.13 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -45.52 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.671 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 m-20 -134.32 74.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.75 123.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 38' ' ' TYR . 17.6 m -126.41 117.45 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.57 133.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.745 HD11 HG11 ' A' ' 63' ' ' VAL . 8.7 tt -98.63 133.92 22.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.76 -46.38 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.0 p -31.09 -48.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -132.83 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' ND2' ' A' ' 36' ' ' ASN . . . 122.37 82.51 0.62 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.544 ' ND2' ' O ' ' A' ' 35' ' ' GLY . 11.7 m120 -152.2 152.38 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -97.23 139.98 32.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.8 m-85 -147.55 152.38 37.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 41' ' ' GLU . 47.4 m -57.36 133.58 55.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -36.36 -29.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 tt0 -92.96 -52.92 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -36.52 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -44.4 -38.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -65.75 -59.19 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -54.0 -33.66 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 53' ' ' HIS . 54.1 mt -50.3 -48.24 55.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 57.2 mt -62.05 -57.39 11.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' LEU . 41.6 mm-40 -32.8 -63.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' ASP . 88.9 p -69.98 130.82 43.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 2.8 m-20 -33.66 -42.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' HIS . 2.2 mp0 -130.32 133.21 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.703 ' HB3' HD22 ' A' ' 47' ' ' LEU . 6.5 m-70 -35.58 101.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.2 m -131.17 113.21 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -55.44 129.1 69.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.18 35.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.417 HG22 ' SG ' ' A' ' 55' ' ' CYS . 8.9 t -104.76 -35.12 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' CYS . 14.4 p -126.68 161.63 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -94.32 78.87 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.481 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 1.1 tp60 -89.24 179.16 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -135.53 101.44 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t0 60.93 54.97 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -46.25 143.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -87.45 109.44 26.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.09 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -97.57 -33.11 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 47.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 69' ' ' SER . 61.3 mt -119.59 137.37 53.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.2 t -36.61 -43.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -76.27 112.77 3.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 70' ' ' GLY . 54.3 Cg_endo -69.68 103.45 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -72.65 112.0 8.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.8 p -111.5 138.86 47.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.553 179.965 . . . . . . . . 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 -0.356 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -127.7 143.21 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 p -62.03 -51.66 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 43.64 2.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -63.22 -58.18 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -126.01 103.11 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.0 -129.79 5.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.79 144.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -53.24 120.77 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.501 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.2 m-20 -68.68 -59.73 5.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 10' ' ' ASP . 53.3 Cg_endo -69.75 159.15 54.46 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -81.58 127.34 73.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.99 47.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.786 2.324 . . . . 0.0 112.298 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.42 -29.39 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.23 -39.03 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.6 159.93 21.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 25' ' ' MET . 14.4 p -68.87 169.92 10.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -103.15 36.75 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 42' ' ' CYS . 50.0 mt -132.05 -72.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' ILE . 22.9 p -99.4 -11.52 21.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.27 55.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -132.03 146.38 52.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 124.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 18' ' ' CYS . 3.0 mpp? -87.61 87.06 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -41.52 -37.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -130.74 48.04 2.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.15 123.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 27' ' ' ASP . 15.3 m -116.2 122.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 35' ' ' GLY . 94.2 t -81.87 130.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.575 HG13 HD21 ' A' ' 68' ' ' LEU . 5.1 tt -93.4 137.2 23.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.79 -52.55 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 17.5 p -29.5 -46.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.6 p -134.79 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.663 ' O ' HG13 ' A' ' 30' ' ' VAL . . . 147.12 -41.97 0.93 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-20 -36.79 147.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -111.67 155.78 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -147.2 163.34 36.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLU . 51.5 m -58.97 134.16 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -40.31 -25.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.6 tp10 -95.97 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.5 m -37.16 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.7 tp -53.64 -44.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.176 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 18.7 ttm180 -45.24 -45.77 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -48.98 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.98 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 53' ' ' HIS . 84.2 mt -50.84 -41.35 57.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -66.56 -57.73 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 3.2 mm-40 -36.77 -55.45 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.9 p -60.59 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -99.33 -47.99 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' HIS . 9.2 mp0 -116.13 49.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.875 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.5 m80 36.72 39.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.5 m -69.81 112.43 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 58' ' ' CYS . 3.7 t -39.28 134.35 1.16 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 6.16 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -131.5 -62.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 55' ' ' CYS . 20.5 p -90.38 147.49 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -76.05 82.64 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' CG ' HG22 ' A' ' 63' ' ' VAL . 9.0 tp60 -107.1 174.08 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.33 106.75 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 72.36 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 31' ' ' ILE . 85.1 t -52.63 150.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.0 m -93.51 107.01 23.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.679 0.752 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.44 16.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.37 -47.36 75.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.96 -44.73 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.575 HD21 HG13 ' A' ' 31' ' ' ILE . 57.0 mt -34.41 151.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.5 m -80.2 43.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.44 87.73 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.83 11.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -71.29 139.09 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -46.53 126.85 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.489 179.984 . . . . . . . . 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 -0.329 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -75.08 148.26 39.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -88.69 117.04 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.807 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.15 -171.25 19.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -99.91 -43.68 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -68.23 95.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.11 -92.05 1.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' C ' ' CD ' ' A' ' 8' ' ' GLU . 1.8 pp20? -79.07 146.25 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.22 158.75 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.92 144.18 45.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.83 48.24 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.6 2.2 . . . . 0.0 112.396 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.79 129.15 5.19 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.62 0.724 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 160.76 48.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -62.69 -50.3 71.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.833 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 9.2 pt-20 -37.92 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' ASP . 13.9 mt -92.97 -36.15 12.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 13.1 mt -92.17 173.79 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -80.76 165.76 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 34.8 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 42' ' ' CYS . 74.3 mt -129.39 -73.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 28.8 p -102.06 -8.81 21.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.11 54.41 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 58.6 m-20 -131.96 144.37 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.02 124.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.649 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 3.0 mpp? -86.04 87.4 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 27' ' ' ASP . 8.5 t -48.36 -47.11 37.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.509 ' N ' HG23 ' A' ' 26' ' ' THR . 46.1 m-20 -120.81 40.94 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -32.06 142.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 43' ' ' ILE . 13.7 m -135.68 130.37 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.76 113.29 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 tt -70.83 136.21 85.4 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.72 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.9 p -31.33 -52.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.03 -55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 118.36 101.97 2.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.417 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 89.8 m-20 -150.45 169.02 22.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.628 ' HB2' ' HE2' ' A' ' 25' ' ' MET . 73.1 p -105.2 122.99 47.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 47.1 m-85 -146.22 149.73 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' CYS . 34.3 m -64.96 136.76 57.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.59 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -92.32 -37.27 12.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.555 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -51.38 -50.52 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.487 HG21 HG21 ' A' ' 29' ' ' VAL . 9.9 tp -77.34 -23.7 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -71.89 -63.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 m -52.92 -49.3 66.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.1 -45.77 11.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.98 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.45 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -48.59 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.2 t -39.85 104.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -40.33 -47.4 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 5.8 mp0 -118.05 99.48 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 20.3 m80 -33.76 98.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.793 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' CYS . 90.7 m -149.62 110.63 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' THR . 44.1 t -33.37 122.94 0.45 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 8.59 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 m -121.7 -64.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.31 168.9 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.04 103.42 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.89 ' HG2' HG22 ' A' ' 63' ' ' VAL . 16.8 tp60 -126.58 161.98 26.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.43 100.82 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 64.07 52.15 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.89 HG22 ' HG2' ' A' ' 60' ' ' GLN . 97.1 t -36.66 123.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -66.64 112.07 8.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -25.49 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.24 31.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -127.45 -38.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 31' ' ' ILE . 21.5 mt -35.32 148.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LEU . 14.3 m -36.68 -50.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.1 138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.2 Cg_endo -69.79 102.6 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.312 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' PRO . 74.1 m -35.67 120.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -70.08 -56.95 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.451 179.986 . . . . . . . . 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 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -55.43 103.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -67.44 -58.14 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.65 -133.36 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -121.96 155.32 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -122.25 132.47 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.02 95.25 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 126.16 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -100.15 160.02 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.23 108.5 24.74 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.73 44.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -44.3 126.39 4.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 16' ' ' LEU . 53.2 Cg_endo -69.75 154.8 67.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LEU . 16.4 t70 -69.26 -56.83 6.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 3.7 pt-20 -39.48 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 3.5 mm? -83.78 33.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 mt -145.65 159.99 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.98 169.64 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -100.52 29.17 4.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 38' ' ' TYR . 23.4 mt -125.3 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.41 -5.1 24.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 57.09 48.27 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.3 144.4 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.7 mt -38.63 133.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.0 mpp? -99.55 90.71 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -34.52 -45.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.3 t0 -126.74 74.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.94 104.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.0 m -103.72 117.33 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' A' ' 69' ' ' SER . 2.4 p -102.08 119.55 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.837 HD11 HG11 ' A' ' 63' ' ' VAL . 9.0 tt -81.62 132.95 53.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.76 -44.42 2.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 28.4 p -32.02 -48.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.0 -52.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.1 97.74 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.474 ' OD1' HG21 ' A' ' 57' ' ' THR . 21.5 m120 -155.45 153.04 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -93.94 131.21 39.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.6 m-85 -146.33 155.9 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 44.8 m -70.88 135.2 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -35.8 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.1 pp20? -95.56 -45.59 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -45.93 -40.57 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.622 HG21 HG21 ' A' ' 29' ' ' VAL . 9.5 tp -80.4 -37.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ptm180 -63.27 -36.17 82.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.1 m -77.81 -40.07 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.9 -39.23 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.9 -51.57 15.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 44' ' ' ARG . 10.9 mp -60.75 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.5 pp20? -34.46 -40.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 99.6 p -107.8 103.26 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' ND1' ' A' ' 53' ' ' HIS . 5.2 m-20 -48.37 -37.82 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.81 -31.07 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 51' ' ' ASP . 43.2 m80 64.58 50.97 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' GLN . 28.2 m -103.14 136.39 43.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' HG22 ' A' ' 57' ' ' THR . 2.7 t -57.86 128.87 81.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.45 2.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.522 HG22 ' SG ' ' A' ' 55' ' ' CYS . 5.1 t -127.21 -32.96 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.4 p -128.76 168.03 16.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -85.28 64.97 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.62 ' HG3' HG22 ' A' ' 63' ' ' VAL . 8.2 tp60 -88.52 176.01 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -153.02 136.15 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER 36.81 54.02 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 31' ' ' ILE . 64.1 t -54.66 143.23 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.5 m -88.4 114.0 57.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.95 -37.22 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.06 -45.42 85.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 67' ' ' ALA . 43.8 mt -32.6 134.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.575 ' HB3' HG12 ' A' ' 30' ' ' VAL . 2.9 p -73.17 160.48 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 72' ' ' SER . . . 124.29 -101.58 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 10.39 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.367 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 70' ' ' GLY . 15.2 t -57.04 -61.03 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.1 t -60.39 -55.74 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.51 -179.933 . . . . . . . . 0 0 . 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 1.451 -0.358 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -86.23 91.67 8.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.816 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -119.37 151.44 38.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.06 173.96 23.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -97.46 -57.8 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 161.29 22.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.71 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.77 86.24 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.34 157.79 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -78.66 -64.27 0.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 10' ' ' ASP . 54.1 Cg_endo -69.75 163.74 37.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -96.1 125.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.641 0.734 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.7 Cg_endo -69.79 156.55 62.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -67.01 -50.2 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 11.4 pt-20 -38.57 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ASP . 12.4 mt -87.8 -39.82 14.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 48.6 mt -90.24 165.28 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -77.23 164.46 25.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.55 39.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 82.8 mt -134.58 -70.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -102.26 -11.53 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 64.3 52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -134.09 143.32 47.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.2 mt -42.6 124.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -86.06 95.86 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -46.05 -43.13 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.3 m-20 -128.01 79.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.88 133.84 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 38' ' ' TYR . 11.5 m -134.93 128.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.43 123.86 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.707 HD11 HG11 ' A' ' 63' ' ' VAL . 6.9 tt -83.91 134.46 44.05 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.73 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' PRO . 28.1 p -30.15 -51.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.08 -55.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.31 104.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -160.92 156.28 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 p -96.73 128.16 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.8 m-85 -146.99 149.83 33.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ASP . 57.3 m -61.74 137.04 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -35.09 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.18 -45.45 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 m -43.61 -49.74 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 31' ' ' ILE . 6.9 tp -75.28 -39.06 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -54.6 -57.04 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' ALA . 44.1 m -60.71 -56.21 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.05 -56.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' HIS . 91.1 mt -52.3 -44.14 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' THR . 51.9 mt -67.07 -58.57 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -39.02 -55.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 p -60.08 166.34 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.93 -61.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.75 70.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.664 ' HB3' HD22 ' A' ' 47' ' ' LEU . 16.8 m170 39.51 42.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -68.99 100.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.7 t -43.19 133.09 3.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.696 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.54 27.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 0.0 112.372 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -83.08 -58.41 2.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.05 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.4 p -118.99 174.96 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -89.69 103.69 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.752 ' HG2' HG22 ' A' ' 63' ' ' VAL . 20.8 tp60 -115.95 170.79 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.53 96.57 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t0 67.77 52.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.752 HG22 ' HG2' ' A' ' 60' ' ' GLN . 64.5 t -43.64 138.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -81.14 111.26 22.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.4 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -49.18 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -44.3 -44.33 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 46.9 mt -35.8 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 122.68 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.87 92.95 1.5 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -21.06 34.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.3 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -56.71 105.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.1 m -90.47 134.78 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.482 -179.929 . . . . . . . . 0 0 . 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 -0.27 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -144.92 165.33 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -137.21 148.26 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.3 86.25 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -111.03 139.45 46.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -100.87 117.79 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.35 110.04 1.89 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -150.23 117.44 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -147.47 114.94 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -42.04 139.08 1.78 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.32 5.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 13' ' ' PRO . 77.0 mt -89.07 134.05 34.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 12' ' ' ILE . 53.2 Cg_endo -69.81 170.06 17.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -66.96 -43.52 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -42.18 -29.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.694 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.7 mt -91.09 -36.63 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.72 153.47 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 p -89.86 168.16 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.65 29.33 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 42' ' ' CYS . 96.3 mt -125.81 -75.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 15.8 p -98.02 -6.45 31.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 58.94 53.05 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.9 t0 -126.82 142.3 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -43.33 118.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.694 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 43.0 mtm -86.45 88.24 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -54.17 -35.87 62.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.2 t0 -126.15 45.07 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -38.96 126.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 69' ' ' SER . 5.0 m -120.16 128.71 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -92.45 119.1 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.5 tt -72.41 137.17 80.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.77 -51.51 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -29.81 -52.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -135.06 -56.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 123.2 93.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.591 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 17.9 m120 -138.12 161.51 36.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 81.9 p -100.85 121.77 42.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 27.8 m-85 -147.47 150.68 35.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLU . 39.9 m -65.87 135.92 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.84 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.6 pt-20 -92.5 -48.28 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -39.67 -54.16 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.0 tp -71.89 -30.39 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' C ' ' HD2' ' A' ' 44' ' ' ARG . 2.6 tmm_? -61.2 -59.44 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 49' ' ' GLU . 20.9 m -62.54 -45.64 92.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.77 -46.52 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.35 -50.35 74.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HG2' HG22 ' A' ' 45' ' ' THR . 35.6 mm-40 -59.5 -56.11 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -45.11 133.56 6.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -45.43 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 41.3 mm-40 -134.82 53.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 6.9 m-70 34.71 44.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' GLN . 84.2 m -86.11 121.57 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.6 t -43.21 122.55 3.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 5.8 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 m -115.07 -60.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.3 p -115.42 160.65 19.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -76.03 95.14 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.524 ' OE1' HG22 ' A' ' 63' ' ' VAL . 4.1 tm0? -137.65 171.42 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' OD1' ' NE2' ' A' ' 60' ' ' GLN . 0.8 OUTLIER -89.68 -174.28 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 101.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.524 HG22 ' OE1' ' A' ' 60' ' ' GLN . 97.6 t -70.28 145.84 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 66' ' ' ASP . 25.2 t -73.78 129.13 85.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.69 0.757 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 9.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.222 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 64' ' ' SER . 29.7 t70 -112.54 -36.7 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.43 46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.2 mt -129.07 119.9 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.646 ' HB3' HG12 ' A' ' 29' ' ' VAL . 22.7 t 33.0 40.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.99 156.03 20.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 7.09 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -110.77 99.42 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -93.61 152.3 19.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.971 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -63.8 88.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -143.32 125.26 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.02 72.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -159.58 143.24 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p 44.21 42.8 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.73 138.47 2.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.95 141.91 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.76 143.44 47.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 p30 -109.85 114.56 56.34 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.53 0.681 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 10' ' ' ASP . 54.1 Cg_endo -69.77 171.53 14.3 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -41.41 126.09 2.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HG2' HD23 ' A' ' 16' ' ' LEU . 53.9 Cg_endo -69.76 152.29 69.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.85 -53.48 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HG3' HD22 ' A' ' 16' ' ' LEU . 2.6 pt-20 -41.58 -26.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.549 HD23 ' HG2' ' A' ' 13' ' ' PRO . 4.5 mm? -84.07 30.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -144.11 149.54 36.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -76.65 168.96 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.21 30.65 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 42' ' ' CYS . 79.6 mt -124.29 -74.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 31.4 p -98.05 -5.37 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt 58.99 55.08 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.6 m-20 -136.58 145.37 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.9 mm -39.85 132.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.96 80.91 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -38.04 -41.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 26' ' ' THR . 2.0 m-20 -130.29 81.22 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 137.18 18.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 43' ' ' ILE . 16.1 m -140.9 120.79 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -91.17 114.08 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 43' ' ' ILE . 6.6 tt -72.25 136.26 81.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.76 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.65 ' SG ' HD13 ' A' ' 31' ' ' ILE . 8.0 p -29.12 -53.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.02 -59.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 124.41 107.73 1.75 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -161.06 162.42 31.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 m -98.67 124.48 43.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -145.73 147.37 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.6 m -57.08 134.76 56.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -33.83 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 36.0 tt0 -91.89 -50.9 5.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.597 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -37.31 -48.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 31' ' ' ILE . 8.5 tp -79.9 -29.34 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -63.89 -56.62 13.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 49' ' ' GLU . 50.8 m -67.18 -43.21 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -49.28 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.58 -49.14 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.53 -55.89 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HG3' HG22 ' A' ' 45' ' ' THR . 49.3 mt-10 -38.37 -57.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -58.73 174.74 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -100.64 -42.73 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' HIS . 15.6 mt-10 -111.12 52.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' GLU . 7.7 m170 33.71 46.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -74.67 137.04 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.19 135.14 47.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.622 0.725 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -14.26 36.0 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -98.65 -56.55 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.65 173.36 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -90.39 91.59 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -111.84 170.73 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.11 -46.08 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.62 106.39 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.61 108.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -70.21 119.73 73.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.748 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.13 -41.93 94.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.58 -47.78 63.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.4 mt -36.53 148.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 29' ' ' VAL . 18.6 m -93.94 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -123.2 -154.46 9.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.338 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -119.27 146.15 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -96.62 -47.03 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.516 -179.999 . . . . . . . . 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 -0.286 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -109.33 168.68 9.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -86.14 113.36 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.77 -174.03 32.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -65.96 -56.88 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -85.47 158.33 20.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.787 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.56 -81.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -114.33 162.61 16.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.34 156.09 25.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.28 143.37 40.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.505 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.3 mp -40.02 128.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD2' HD12 ' A' ' 16' ' ' LEU . 53.9 Cg_endo -69.86 163.41 38.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.329 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -60.06 -42.37 94.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -20.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' HD2' ' A' ' 13' ' ' PRO . 35.5 mt -110.24 32.46 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 14' ' ' ASP . 93.0 mt -137.27 150.0 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -77.28 167.96 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.17 37.07 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.554 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.6 mt -134.17 -75.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 30.8 p -97.25 -6.27 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 58.1 55.01 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.1 m-20 -132.78 149.53 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -42.88 130.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.543 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mpp? -92.63 82.27 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.39 -38.36 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ALA . 39.0 t70 -130.25 43.4 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 25' ' ' MET . . . -35.51 133.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 m -121.93 128.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.59 113.16 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.77 HD12 HD11 ' A' ' 43' ' ' ILE . 5.7 tt -76.62 135.47 68.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.2 Cg_endo -69.77 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 26.6 p -30.66 -50.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.04 -55.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.25 100.61 2.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -153.28 166.65 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.7 p -99.17 125.64 44.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -147.27 149.27 32.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 42' ' ' CYS . 21.1 m -65.89 131.29 45.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -35.2 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 7.2 pt-20 -87.72 -38.23 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -55.19 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 29' ' ' VAL . 6.1 tp -48.04 -28.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -56.31 -38.66 71.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 45' ' ' THR . . . -50.81 -44.32 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 13.3 mt -60.3 -42.78 96.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' GLU . 3.7 mm? -57.36 -46.42 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' LEU . 18.5 mt-10 -31.03 -62.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 75.0 m -97.51 115.1 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.9 p-10 -34.75 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' HIS . 12.9 mm-40 -97.8 109.0 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' GLU . 31.1 m170 -32.18 103.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -132.6 106.06 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 57' ' ' THR . 1.4 t -46.0 126.96 7.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.44 HG22 ' SG ' ' A' ' 55' ' ' CYS . 5.7 t -112.83 -32.1 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 55' ' ' CYS . 14.3 p -130.07 158.57 39.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.437 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 53.2 t-80 -80.54 51.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 15.4 tp60 -59.52 174.82 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -40.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -163.22 138.01 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m -149.6 123.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.84 144.04 28.74 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.42 37.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.27 -41.22 57.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.75 91.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.555 HD21 HG13 ' A' ' 31' ' ' ILE . 79.6 mt -41.85 150.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 t -61.47 149.84 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.53 72.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 138.66 38.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.608 2.205 . . . . 0.0 112.353 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -88.69 -54.74 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -63.12 -57.92 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.496 -179.961 . . . . . . . . 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 -0.292 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -50.43 112.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -74.43 141.62 45.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.22 77.69 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -92.48 157.2 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -80.97 -51.81 8.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.41 109.17 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -132.48 129.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -174.22 156.47 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.79 139.73 23.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.59 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.86 126.08 89.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.727 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 170.72 16.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.3 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -68.55 -44.2 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.06 -24.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 mt -105.88 34.84 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 14' ' ' ASP . 78.9 mt -139.99 158.2 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -78.18 162.16 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.1 31.93 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.6 mt -126.41 -72.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.95 -0.12 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 53.47 44.7 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -123.79 142.32 51.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -40.58 131.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.63 98.15 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.806 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -44.66 -40.57 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.639 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -130.75 75.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.41 103.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 27' ' ' ASP . 17.4 m -106.23 123.0 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.97 114.69 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 33' ' ' CYS . 8.1 tt -70.29 136.93 86.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.702 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.8 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.392 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.5 p -31.97 -53.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.5 p -135.02 -55.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 120.81 107.78 2.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.476 ' OD1' HG21 ' A' ' 57' ' ' THR . 6.9 m120 -159.07 162.67 36.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -99.28 123.77 43.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -145.31 135.95 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' CYS . 23.6 m -52.64 134.76 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.29 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 pm0 -93.33 -35.78 12.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.4 m -55.31 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.1 tp -70.12 -42.51 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 43' ' ' ILE . 25.2 ttt180 -53.7 -52.38 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' LEU . 28.2 m -72.21 -46.95 54.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.64 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.59 -39.32 83.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' THR . 45.0 mt -71.79 -65.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.3 -27.45 9.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 20.6 t -79.82 92.51 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 3.1 m-20 -35.42 -41.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 1.3 pp20? -111.75 109.32 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -54.54 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 60' ' ' GLN . 96.1 m -161.17 115.33 2.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -35.63 126.45 0.62 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.64 2.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.476 HG21 ' OD1' ' A' ' 36' ' ' ASN . 5.1 t -124.22 -43.93 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 57' ' ' THR . 16.7 p -116.45 168.87 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -87.89 68.75 9.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 54' ' ' THR . 47.4 tp60 -104.61 161.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -106.72 -179.61 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.3 t0 -33.6 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.2 t -84.85 148.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -70.69 118.68 67.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -15.92 37.1 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.93 32.76 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -119.42 -40.16 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 67' ' ' ALA . 31.7 mt -36.5 147.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.6 p -54.34 158.65 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.4 84.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -140.16 108.55 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -110.93 -45.06 3.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.447 -179.96 . . . . . . . . 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 1.45 -0.395 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -135.22 136.05 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -60.37 176.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.58 124.3 4.36 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 47.87 41.72 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -89.67 113.05 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.38 -114.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -127.86 169.27 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -85.61 92.89 8.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.555 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -65.91 -57.29 14.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.636 0.731 . . . . 0.0 110.807 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 10' ' ' ASP . 53.3 Cg_endo -69.77 177.16 5.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.83 131.56 92.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HG2' HD12 ' A' ' 16' ' ' LEU . 54.4 Cg_endo -69.72 165.1 32.05 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -44.37 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' CD ' ' HB2' ' A' ' 13' ' ' PRO . 2.3 pm0 -48.1 -25.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD12 ' HG2' ' A' ' 13' ' ' PRO . 14.2 mt -89.3 -35.84 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -86.32 161.24 18.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 19.8 p -97.99 168.38 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -97.44 32.36 2.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 84.2 mt -128.96 -75.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -98.36 -5.41 32.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 60.26 46.11 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.83 141.49 52.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -45.21 115.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.425 ' CG ' ' HB3' ' A' ' 18' ' ' CYS . 50.4 mtm -75.75 94.88 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -48.45 -37.46 17.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.26 80.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.7 136.49 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 38' ' ' TYR . 4.2 m -137.58 133.76 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.44 117.25 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.697 HD13 ' SG ' ' A' ' 33' ' ' CYS . 10.6 tt -78.45 136.24 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.721 2.28 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.697 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.1 p -31.57 -52.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.8 p -134.98 -53.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 105.82 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.426 ' OD1' HG21 ' A' ' 57' ' ' THR . 15.0 m120 -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 28.2 m -96.85 128.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.711 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.7 m-85 -145.93 157.33 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' GLU . 61.5 m -66.36 136.21 55.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.24 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.3 tt0 -90.62 -50.6 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -37.42 -58.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 29' ' ' VAL . 7.5 tp -64.13 -30.85 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD13 ' A' ' 48' ' ' LEU . 24.4 ttt85 -65.37 -44.45 87.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.51 HG22 ' CG ' ' A' ' 49' ' ' GLU . 53.8 m -66.68 -60.42 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.63 -63.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -42.39 -48.05 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 44' ' ' ARG . 7.8 mp -67.34 -58.7 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' HG22 ' A' ' 45' ' ' THR . 13.5 mm-40 -43.58 -57.01 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 164.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.26 -57.58 5.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.78 77.44 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.7 m170 44.23 41.76 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 m -79.48 111.76 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.48 129.3 69.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.64 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.628 2.218 . . . . 0.0 112.389 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.491 ' HG1' ' HH ' ' A' ' 38' ' ' TYR . 10.9 m -118.8 -52.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.11 168.4 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -81.04 87.43 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -116.24 159.99 21.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -120.39 -39.36 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.96 124.02 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -124.83 136.82 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 95.4 p -93.38 109.65 41.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.5 Cg_endo -69.86 2.96 3.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.69 -45.36 6.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -50.92 -41.78 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -34.31 145.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.2 t -36.59 -46.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.61 110.22 2.65 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.54 10.31 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.6 m -69.88 128.68 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 m -150.9 127.31 10.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.5 -179.945 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -125.91 153.63 43.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -112.84 139.91 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.2 -46.88 1.05 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -160.63 144.35 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.388 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -121.02 120.35 35.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.51 51.99 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -84.3 42.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -158.57 158.3 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.52 135.32 3.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.33 8.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.322 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.458 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.8 mp -44.74 132.64 5.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.176 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 12' ' ' ILE . 53.4 Cg_endo -69.76 174.56 9.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.281 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -31.05 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -57.75 -16.6 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -113.67 26.03 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.61 150.83 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -87.11 170.14 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.97 33.52 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.4 mt -130.37 -71.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -102.52 -0.16 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 50.42 54.57 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -132.86 143.55 49.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -44.04 127.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -97.18 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 t -54.02 -41.77 68.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.6 m-20 -125.91 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.49 107.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.5 m -99.54 117.72 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' ASN . 2.7 p -103.71 116.09 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.701 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.5 tt -71.7 136.31 83.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.63 -48.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.416 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.701 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -30.86 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.451 ' SG ' ' ND2' ' A' ' 36' ' ' ASN . 12.4 p -135.02 -54.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.652 ' C ' HD21 ' A' ' 36' ' ' ASN . . . 125.95 94.18 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.652 HD21 ' C ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -139.98 145.13 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.909 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -93.33 127.27 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' VAL . 41.6 m-85 -144.36 160.46 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' GLU . 56.4 m -71.72 138.74 48.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -37.95 -30.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 13.8 pt-20 -95.26 -45.43 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -43.22 -61.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.615 HG21 HG21 ' A' ' 29' ' ' VAL . 10.2 tp -61.97 -27.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.64 79.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 49' ' ' GLU . 60.5 m -76.31 -55.55 5.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.68 -60.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 mt -47.75 -47.17 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.1 mt -66.96 -61.09 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.484 ' HG3' HG22 ' A' ' 45' ' ' THR . 17.1 mt-10 -33.63 -52.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 11.3 t -68.07 134.86 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -35.25 -61.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.57 170.95 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -69.99 87.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' CYS . 19.5 m -129.73 99.08 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' THR . 53.6 t -37.23 127.6 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.1 34.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.608 2.205 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 m -94.08 -51.15 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 58' ' ' CYS . 19.5 p -130.8 113.63 14.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.603 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 12.7 p80 -37.2 104.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.75 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -120.73 139.84 52.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.75 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -62.56 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -147.88 127.48 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -115.12 120.41 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 t -67.24 119.97 68.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.711 0.767 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.1 9.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.42 -52.26 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -45.78 -44.79 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' ALA . 55.8 mt -34.13 148.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -58.6 137.04 57.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.15 84.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -8.54 23.87 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 t -52.99 130.0 32.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -45.35 120.28 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.458 -179.975 . . . . . . . . 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 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -151.22 152.75 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -156.18 161.96 40.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.85 -109.3 0.68 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.431 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 97.03 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -124.01 168.52 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.1 -62.7 0.64 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -102.6 84.04 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -134.71 104.71 6.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.36 126.02 53.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.3 14.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -37.8 131.73 0.89 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' CG ' HD12 ' A' ' 16' ' ' LEU . 53.7 Cg_endo -69.63 -177.73 1.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.759 2.306 . . . . 0.0 112.345 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -96.51 -20.87 18.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.09 -12.17 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 13' ' ' PRO . 14.3 mt -97.15 -22.91 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.07 160.52 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 p -92.08 -173.1 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -103.93 -22.8 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 21' ' ' CYS . 48.2 mt -75.26 -76.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 20' ' ' ILE . 14.0 p -99.99 13.18 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.4 46.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -121.81 148.52 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.7 mt -42.65 131.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.4 mtm -98.75 90.98 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -39.55 -44.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -128.17 87.42 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.73 128.3 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 43' ' ' ILE . 26.4 m -127.87 119.02 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.73 118.06 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -80.69 135.91 52.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 111.192 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.4 Cg_endo -69.68 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 31' ' ' ILE . 13.1 p -30.04 -52.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.98 -56.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.14 96.52 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -148.45 158.62 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 p -96.32 127.42 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -145.72 146.2 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASP . 40.2 m -61.34 136.26 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -34.97 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.58 -42.08 15.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -45.44 -67.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 29' ' ' VAL . 10.9 tp -60.0 -26.97 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 48' ' ' LEU . 17.9 tpp180 -69.35 -32.87 72.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.637 HG22 ' HG2' ' A' ' 49' ' ' GLU . 57.5 m -89.41 -45.5 9.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.58 -42.98 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 53' ' ' HIS . 68.6 mt -68.22 -42.89 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 44' ' ' ARG . 4.6 mm? -64.67 -57.74 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' HG2' HG22 ' A' ' 45' ' ' THR . 61.1 mm-40 -33.23 -65.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 26.2 p -67.79 143.29 55.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.5 m-20 -34.62 -45.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' THR . 36.0 mt-10 -130.09 169.26 15.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.7 m170 -56.59 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' GLU . 76.5 m -106.16 129.18 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -79.49 122.93 84.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.595 0.712 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.23 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 t -128.73 -45.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.203 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.17 -7.49 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 24.8 m-70 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -55.71 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -133.16 95.27 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 74.91 53.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.603 HG22 ' OE1' ' A' ' 60' ' ' GLN . 59.5 t -49.88 159.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.52 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.0 m -101.03 104.2 30.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.717 0.77 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 54.0 Cg_endo -69.71 0.79 5.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.59 -31.62 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -68.59 -43.56 76.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.2 mt -34.64 145.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -70.61 95.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.46 -173.61 41.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 131.81 21.96 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -77.44 170.41 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.4 m -81.0 -55.96 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.448 -179.894 . . . . . . . . 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' ' ' LEU . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.3 mt -138.14 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.77 158.36 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.89 38.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.0 mt -133.01 -69.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -105.62 -4.66 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 56.64 50.49 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.22 141.73 50.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.6 mt -40.32 129.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -90.31 87.24 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -41.28 -36.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 29' ' ' VAL . 9.2 t70 -131.68 77.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.13 127.48 6.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.6 m -129.57 122.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.82 116.33 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.737 HD11 HG21 ' A' ' 63' ' ' VAL . 8.5 tt -76.51 137.17 67.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.77 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.301 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.3 p -30.88 -52.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 p -134.99 -55.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.24 106.3 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.447 HD21 HG21 ' A' ' 57' ' ' THR . 29.5 m-80 -157.82 160.06 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.6 p -94.9 122.45 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.57 ' O ' HG22 ' A' ' 29' ' ' VAL . 52.1 m-85 -145.11 146.35 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' ASP . 29.6 m -60.98 139.36 58.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.64 -35.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.6 pt-20 -90.86 -50.16 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.5 m -36.97 -56.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.582 HD11 HD12 ' A' ' 31' ' ' ILE . 4.5 tp -66.75 -30.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 32.6 ttm180 -65.01 -57.02 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 49' ' ' GLU . 92.4 m -61.79 -51.55 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.14 -64.72 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.8 mt -45.91 -35.56 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' THR . 61.0 mt -74.8 -51.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 45' ' ' THR . 38.2 mt-10 -34.07 -63.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 51.1 m -64.06 152.02 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -34.98 -50.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.01 176.43 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -61.63 82.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -121.69 96.83 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.8 t -39.01 138.02 0.86 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.13 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.447 HG21 HD21 ' A' ' 36' ' ' ASN . 13.3 m -57.27 -57.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.6 p -126.15 115.38 19.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 28.7 p-80 -45.74 99.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 9.0 tm0? -112.54 171.82 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.29 95.8 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.3 54.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 31' ' ' ILE . 7.3 p -63.29 118.21 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.0 m -40.78 101.44 0.24 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.66 0.743 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.57 28.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.626 2.217 . . . . 0.0 112.387 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -81.48 -36.9 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 mt -42.0 155.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 p . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.0 mt . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.83 0.348 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 94.7 mt -130.12 153.5 48.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -81.18 162.39 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 42' ' ' CYS . 90.0 mt -120.07 -75.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -98.94 -4.44 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.95 45.26 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -127.44 145.42 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 60.8 mt -41.11 132.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -95.23 98.22 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -48.51 -34.49 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.9 t70 -134.44 80.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.29 115.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 27' ' ' ASP . 26.4 m -118.96 133.99 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.91 114.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.682 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.8 tt -72.68 133.69 82.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.76 -41.97 3.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.342 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 31' ' ' ILE . 27.7 p -36.68 -53.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -134.98 -51.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 117.3 103.91 2.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.554 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -157.21 159.89 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -99.74 125.54 45.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -145.94 150.24 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 41' ' ' GLU . 29.2 m -63.08 133.85 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' CYS . 1.1 p-10 -35.54 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 39' ' ' CYS . 16.9 pt-20 -91.59 -45.4 8.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' HG22 ' A' ' 45' ' ' THR . 1.7 m -44.48 -67.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 tp -49.6 -37.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -65.74 -70.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 42' ' ' CYS . 1.9 t -42.46 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.17 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.15 -33.02 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -66.38 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 50' ' ' SER . 2.8 pp20? -49.12 -51.12 33.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.9 m -55.45 116.89 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' SER . 50.7 m-20 -34.16 -42.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.03 159.62 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.88 83.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -123.38 135.84 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.12 129.85 90.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 5.08 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -118.39 -60.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.07 159.54 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -75.84 87.75 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.662 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -107.74 139.01 42.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.662 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -64.23 -65.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 37.3 m-20 -150.13 119.89 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 31' ' ' ILE . 85.5 t -104.22 121.08 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -80.25 132.02 60.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -87.22 -45.98 10.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -55.2 -44.08 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.6 mt -37.34 137.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 29' ' ' VAL . 69.0 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 23' ' ' ASP . 85.0 mt -135.63 142.49 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.15 -173.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -104.46 -20.79 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.815 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.8 mt -72.83 -75.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' LYS . 31.1 p -100.17 8.87 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.6 55.1 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' ILE . 1.7 t70 -133.13 148.45 52.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -35.88 127.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.9 mpp? -93.59 93.02 7.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.1 t -46.93 -42.16 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' VAL . 7.3 m-20 -133.38 51.18 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -37.2 133.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 27' ' ' ASP . 5.1 m -133.09 127.85 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -87.89 126.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -82.75 137.21 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.695 0.759 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 14.3 p -29.54 -52.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.96 -57.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 101.44 1.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -152.51 162.95 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 19.3 m -92.44 121.4 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 37' ' ' SER . 40.9 m-85 -147.35 126.44 12.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ASP . 23.7 m -46.78 135.69 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 3.1 t0 -33.3 -36.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 7.1 pt-20 -89.15 -43.09 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.815 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.2 m -42.82 -58.42 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 31' ' ' ILE . 10.4 tp -63.95 -35.99 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -56.82 -58.98 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' ALA . 85.9 m -63.87 -55.99 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.24 -60.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.496 HD21 ' CG1' ' A' ' 63' ' ' VAL . 59.5 mt -50.07 -46.7 53.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 58.0 mt -65.53 -61.49 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -36.75 -58.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.9 m -55.49 178.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.17 -66.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 tp10 -172.29 117.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 62' ' ' ASP . 31.9 m170 38.15 47.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' GLN . 24.6 m -111.35 114.85 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.27 120.75 61.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.709 0.766 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -104.68 -57.05 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' HIS . 23.6 p -113.57 30.98 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 m80 33.03 44.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.656 ' O ' HG23 ' A' ' 54' ' ' THR . 10.5 tm0? -63.09 171.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.01 96.36 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.452 ' HA ' ' CB ' ' A' ' 53' ' ' HIS . 7.3 m-20 74.33 54.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.9 p -64.11 119.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.6 t -43.94 103.18 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -18.36 37.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -82.38 -44.63 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.15 -41.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . 42.2 mt -36.44 146.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.4 mt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -80.43 159.17 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -85.85 166.29 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.99 29.3 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.0 mt -123.69 -75.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 19.3 p -97.02 -9.73 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 62.66 54.91 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t70 -131.95 143.36 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.1 mt -46.03 121.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 32.4 mtm -90.9 95.89 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -49.05 -30.82 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.749 ' O ' HG13 ' A' ' 29' ' ' VAL . 12.4 t0 -132.46 72.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.29 109.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 27' ' ' ASP . 34.5 m -114.16 117.06 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -90.22 140.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 ' SG ' ' A' ' 33' ' ' CYS . 7.1 tt -99.36 136.36 20.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.74 -50.53 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HD13 ' A' ' 31' ' ' ILE . 10.9 p -30.56 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 p -134.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 128.28 64.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 9.6 m-20 -137.5 145.05 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -94.49 144.02 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 83.8 m-85 -147.66 163.12 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 78.7 m -59.05 133.99 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.95 -26.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' CYS . 5.3 tp10 -95.84 -51.7 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -36.73 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 29' ' ' VAL . 9.2 tp -56.71 -29.56 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -62.68 -51.74 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' LEU . 30.1 m -76.39 -48.09 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -33.95 -40.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.7 mt -75.23 -45.85 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 49' ' ' GLU . 23.4 mt -63.01 -56.48 16.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.5 tm-20 -32.05 -41.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -119.51 113.67 21.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 -31.26 14.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.88 -29.74 69.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 63.9 43.68 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.8 m -90.69 134.45 34.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.1 t -62.41 132.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 2.81 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.449 HG21 HD21 ' A' ' 36' ' ' ASN . 91.7 m -123.52 -65.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 p -95.16 166.67 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.69 83.99 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HG23 ' A' ' 63' ' ' VAL . 11.8 tm0? -110.01 164.86 12.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 -61.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 4.3 t70 -140.48 124.59 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.546 HG11 HD11 ' A' ' 31' ' ' ILE . 89.6 t -115.22 132.34 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -77.43 126.11 85.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.78 -41.98 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -52.6 -45.61 66.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' ALA . 45.3 mt -36.67 152.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.828 0.347 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.3 mt -134.5 150.11 50.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.42 161.04 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.17 41.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.6 mt -134.5 -71.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 26.1 p -103.08 -10.76 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp 64.2 53.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 9.0 t0 -134.3 143.57 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.7 mt -40.79 124.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -80.55 91.85 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -45.61 -40.48 8.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.195 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.4 t70 -131.24 75.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.55 127.69 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 43' ' ' ILE . 7.5 m -132.63 124.84 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.98 118.29 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.605 HD12 HD11 ' A' ' 43' ' ' ILE . 7.6 tt -75.4 137.05 71.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.635 ' HG3' ' HB3' ' A' ' 67' ' ' ALA . 53.4 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 31' ' ' ILE . 20.9 p -31.48 -51.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 p -134.95 -55.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.02 100.42 1.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.822 HD21 HG21 ' A' ' 57' ' ' THR . 69.0 m-80 -153.29 154.93 35.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.1 m -94.16 127.23 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.3 m-85 -146.28 155.92 43.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.9 m -65.97 136.81 56.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.25 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -94.83 -50.35 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -36.86 -50.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 31' ' ' ILE . 7.0 tp -76.71 -27.35 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' GLU . 12.1 ttm180 -66.42 -51.28 58.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 49' ' ' GLU . 95.3 m -71.97 -44.93 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.94 -41.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 53' ' ' HIS . 36.7 mt -64.84 -42.13 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.69 -47.11 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HG22 ' A' ' 45' ' ' THR . 24.7 mm-40 -51.45 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 m -53.1 158.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -54.46 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' HIS . 32.9 mp0 -132.51 81.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 47' ' ' LEU . 11.3 m170 32.98 42.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' CYS . 88.9 m -78.18 93.81 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' THR . 48.0 t -33.64 125.62 0.45 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 5.34 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.822 HG21 HD21 ' A' ' 36' ' ' ASN . 33.0 m -114.49 -58.28 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.3 p -121.78 165.4 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.29 91.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -112.66 168.96 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.19 105.29 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 67.53 54.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 31' ' ' ILE . 84.0 t -38.65 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.3 m -98.29 102.26 13.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.9 -27.34 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . . . -86.97 37.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.77 157.79 17.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.817 0.342 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.4 mt -141.55 151.77 43.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -79.16 158.27 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.44 41.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.4 mt -134.96 -70.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -103.38 -9.52 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 61.16 50.97 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -129.24 140.54 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.0 mp -42.0 123.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -81.71 114.84 20.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.2 t -63.12 -44.26 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.694 ' O ' HG13 ' A' ' 29' ' ' VAL . 42.3 m-20 -128.49 79.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.15 118.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 27' ' ' ASP . 27.4 m -123.95 121.87 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -92.64 124.47 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 43' ' ' ILE . 8.8 tt -81.51 136.57 48.76 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 111.182 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.5 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.703 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -32.39 -50.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -135.09 -56.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.85 98.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -101.68 128.05 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -147.19 154.0 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLU . 66.3 m -65.87 135.29 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.48 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.5 pt-20 -90.11 -47.86 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -40.83 -57.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.797 HD11 HD12 ' A' ' 31' ' ' ILE . 5.7 tp -68.7 -39.51 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' HG23 ' A' ' 43' ' ' ILE . 12.5 ttm-85 -54.87 -66.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.6 m -57.02 -43.93 82.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.91 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.26 -43.57 81.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -52.7 -47.46 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.31 -45.11 89.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.9 p -76.64 96.83 4.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -44.3 -42.49 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 53' ' ' HIS . 43.4 mt-10 -94.34 44.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' GLU . 34.5 m170 28.87 41.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.8 m -69.11 139.19 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.442 ' CB ' ' HG ' ' A' ' 58' ' ' CYS . 1.8 t -86.39 134.74 37.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.71 33.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -111.46 -32.74 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.442 ' HG ' ' CB ' ' A' ' 55' ' ' CYS . 13.9 p -127.74 169.03 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -89.55 72.26 7.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -93.96 166.98 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.61 -40.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -124.28 103.78 8.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.46 136.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.0 m -103.26 116.37 62.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.73 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.93 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.97 -36.64 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.42 43.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.35 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.862 0.363 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -142.35 151.01 41.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -75.35 163.13 27.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.8 37.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 42' ' ' CYS . 81.4 mt -130.85 -71.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.79 -7.76 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm 60.71 54.9 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -133.15 148.98 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -48.18 124.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -84.13 90.32 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -41.42 -40.82 1.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.3 m-20 -133.68 83.57 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.02 138.05 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 38' ' ' TYR . 12.7 m -136.92 118.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.29 117.3 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.662 HD12 HD11 ' A' ' 43' ' ' ILE . 7.2 tt -77.37 137.17 64.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.8 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD13 ' A' ' 31' ' ' ILE . 12.8 p -30.43 -52.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -134.98 -57.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.57 103.07 1.7 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -156.06 161.9 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -98.97 125.96 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.6 m-85 -145.41 149.14 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' ASP . 39.8 m -60.22 136.37 58.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -35.6 -34.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 3.1 pp20? -89.52 -48.39 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.587 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -40.0 -62.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 31' ' ' ILE . 9.6 tp -59.76 -42.12 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 ttm-85 -52.54 -51.76 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' LEU . 51.7 m -65.01 -53.06 52.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.17 -44.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HB3' ' ND1' ' A' ' 53' ' ' HIS . 80.2 mt -67.19 -41.71 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 42.0 mt -64.94 -59.39 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -40.14 -55.25 2.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -61.3 155.88 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 -47.65 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -110.1 44.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 47' ' ' LEU . 8.8 m170 41.99 42.81 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -68.77 135.29 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' H ' ' A' ' 57' ' ' THR . 39.9 t -75.37 131.71 77.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 9.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 55' ' ' CYS . 14.9 m -123.05 -63.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.3 157.4 21.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -72.32 97.94 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 63' ' ' VAL . 3.7 tp60 -123.35 167.68 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.11 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 68.49 51.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 60' ' ' GLN . 50.9 t -56.08 140.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -67.75 111.67 8.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.666 0.746 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.36 4.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.84 36.75 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.53 32.54 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 19.2 mt -112.49 156.79 22.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.8 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.95 145.4 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -72.9 167.89 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -101.24 33.44 2.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -131.88 -74.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.07 3.23 49.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.24 47.18 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -128.24 141.96 51.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.8 mt -38.64 129.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.4 mpp? -89.9 77.77 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 t -43.43 -36.3 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.5 m-20 -127.6 43.59 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -33.41 141.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.6 m -137.34 117.53 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.19 123.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.517 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.2 tt -88.43 135.85 32.24 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.72 -51.58 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.658 2.238 . . . . 0.0 112.361 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 24.1 p -28.79 -47.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -134.96 -55.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 144.22 -31.88 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.836 HD21 HG21 ' A' ' 57' ' ' THR . 5.0 m-20 -39.59 142.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -105.72 148.07 27.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 42.7 m-85 -147.32 163.89 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLU . 25.0 m -64.85 134.23 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -37.35 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -93.27 -44.04 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.3 m -44.3 -72.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 44' ' ' ARG . 6.0 tp -54.47 -47.86 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.506 ' N ' HG23 ' A' ' 43' ' ' ILE . 29.9 ttp180 -41.15 -57.17 2.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.3 m -71.07 -49.01 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.1 -61.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.842 HD21 HG12 ' A' ' 63' ' ' VAL . 27.7 mt -46.47 -38.0 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' THR . 10.0 mp -75.64 -47.79 24.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG3' HG22 ' A' ' 45' ' ' THR . 35.7 mt-10 -38.6 -65.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ASP . 40.7 t -59.69 128.17 35.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . 25.9 t70 -34.39 -45.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -121.82 113.64 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.591 ' HB3' HD22 ' A' ' 47' ' ' LEU . 25.4 m80 -35.34 104.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 60' ' ' GLN . 87.7 m -148.02 112.28 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.8 t -33.52 132.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.14 2.38 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.836 HG21 HD21 ' A' ' 36' ' ' ASN . 88.6 m -124.2 -73.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.174 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 21.4 p -96.44 111.86 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 24.7 p-80 -39.25 110.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.631 ' H ' HG23 ' A' ' 54' ' ' THR . 17.9 tp60 -130.22 171.47 12.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.62 98.19 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 55.92 53.93 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.842 HG12 HD21 ' A' ' 47' ' ' LEU . 4.2 p -43.72 121.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -43.05 105.39 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.667 0.746 . . . . 0.0 110.812 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.7 Cg_endo -69.84 -30.95 21.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -88.17 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.02 31.86 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.1 mt -109.3 153.94 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.5 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.896 0.379 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.2 mt -140.79 156.16 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -78.58 159.83 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.47 41.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 42' ' ' CYS . 64.5 mt -134.26 -68.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 20.2 p -105.26 -10.71 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 63.73 55.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.1 t70 -136.91 141.85 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.1 mt -41.45 128.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.97 100.13 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -45.52 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.671 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 m-20 -134.32 74.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.75 123.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 38' ' ' TYR . 17.6 m -126.41 117.45 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.57 133.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.745 HD11 HG11 ' A' ' 63' ' ' VAL . 8.7 tt -98.63 133.92 22.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.76 -46.38 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.0 p -31.09 -48.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -132.83 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.37 82.51 0.62 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.681 HD22 HG21 ' A' ' 57' ' ' THR . 90.6 m-20 -152.2 152.38 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -97.23 139.98 32.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.8 m-85 -147.55 152.38 37.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 41' ' ' GLU . 47.4 m -57.36 133.58 55.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -36.36 -29.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 tt0 -92.96 -52.92 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -36.52 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -44.4 -38.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -65.75 -59.19 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -54.0 -33.66 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 53' ' ' HIS . 54.1 mt -50.3 -48.24 55.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 57.2 mt -62.05 -57.39 11.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' LEU . 41.6 mm-40 -32.8 -63.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' ASP . 88.9 p -69.98 130.82 43.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 2.8 m-20 -33.66 -42.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' HIS . 2.2 mp0 -130.32 133.21 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.703 ' HB3' HD22 ' A' ' 47' ' ' LEU . 24.2 m170 -35.58 101.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.2 m -131.17 113.21 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -55.44 129.1 69.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.18 35.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.681 HG21 HD22 ' A' ' 36' ' ' ASN . 8.9 t -104.76 -35.12 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' CYS . 14.4 p -126.68 161.63 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 3.7 t-160 -94.32 78.87 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.481 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 1.1 tp60 -89.24 179.16 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -135.53 101.44 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t0 60.93 54.97 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -46.25 143.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -87.45 109.44 26.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.09 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -97.57 -33.11 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 47.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 69' ' ' SER . 61.3 mt -119.59 137.37 53.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.2 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.871 0.367 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.6 159.93 21.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 25' ' ' MET . 14.4 p -68.87 169.92 10.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -103.15 36.75 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 42' ' ' CYS . 50.0 mt -132.05 -72.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' ILE . 22.9 p -99.4 -11.52 21.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.27 55.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -132.03 146.38 52.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 124.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 18' ' ' CYS . 3.0 mpp? -87.61 87.06 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -41.52 -37.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -130.74 48.04 2.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.15 123.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 27' ' ' ASP . 15.3 m -116.2 122.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 35' ' ' GLY . 94.2 t -81.87 130.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.575 HG13 HD21 ' A' ' 68' ' ' LEU . 5.1 tt -93.4 137.2 23.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.79 -52.55 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 17.5 p -29.5 -46.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.6 p -134.79 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.663 ' O ' HG13 ' A' ' 30' ' ' VAL . . . 147.12 -41.97 0.93 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-20 -36.79 147.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -111.67 155.78 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -147.2 163.34 36.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLU . 51.5 m -58.97 134.16 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -40.31 -25.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.6 tp10 -95.97 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.5 m -37.16 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.7 tp -53.64 -44.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.176 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 18.7 ttm180 -45.24 -45.77 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -48.98 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.98 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 53' ' ' HIS . 84.2 mt -50.84 -41.35 57.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -66.56 -57.73 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 3.2 mm-40 -36.77 -55.45 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.9 p -60.59 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -99.33 -47.99 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' HIS . 9.2 mp0 -116.13 49.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.875 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.5 m80 36.72 39.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.5 m -69.81 112.43 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 58' ' ' CYS . 3.7 t -39.28 134.35 1.16 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 6.16 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -131.5 -62.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 55' ' ' CYS . 20.5 p -90.38 147.49 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -76.05 82.64 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' CG ' HG22 ' A' ' 63' ' ' VAL . 9.0 tp60 -107.1 174.08 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.33 106.75 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 72.36 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 31' ' ' ILE . 85.1 t -52.63 150.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.0 m -93.51 107.01 23.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.679 0.752 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.44 16.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.37 -47.36 75.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.96 -44.73 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.575 HD21 HG13 ' A' ' 31' ' ' ILE . 57.0 mt -34.41 151.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.17 173.79 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -80.76 165.76 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 34.8 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 42' ' ' CYS . 74.3 mt -129.39 -73.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 28.8 p -102.06 -8.81 21.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.11 54.41 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 58.6 m-20 -131.96 144.37 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.02 124.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.649 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 3.0 mpp? -86.04 87.4 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 27' ' ' ASP . 8.5 t -48.36 -47.11 37.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.509 ' N ' HG23 ' A' ' 26' ' ' THR . 46.1 m-20 -120.81 40.94 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -32.06 142.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 43' ' ' ILE . 13.7 m -135.68 130.37 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.76 113.29 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 tt -70.83 136.21 85.4 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.72 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.9 p -31.33 -52.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.03 -55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 118.36 101.97 2.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.417 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 89.8 m-20 -150.45 169.02 22.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.628 ' HB2' ' HE2' ' A' ' 25' ' ' MET . 73.1 p -105.2 122.99 47.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 47.1 m-85 -146.22 149.73 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' CYS . 34.3 m -64.96 136.76 57.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.59 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -92.32 -37.27 12.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.555 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -51.38 -50.52 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.487 HG21 HG21 ' A' ' 29' ' ' VAL . 9.9 tp -77.34 -23.7 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -71.89 -63.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 m -52.92 -49.3 66.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.1 -45.77 11.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.98 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.45 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -48.59 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.2 t -39.85 104.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -40.33 -47.4 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 5.8 mp0 -118.05 99.48 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 20.3 m80 -33.76 98.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.793 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' CYS . 90.7 m -149.62 110.63 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' THR . 44.1 t -33.37 122.94 0.45 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 8.59 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 m -121.7 -64.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.31 168.9 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.04 103.42 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.89 ' HG2' HG22 ' A' ' 63' ' ' VAL . 16.8 tp60 -126.58 161.98 26.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.43 100.82 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 64.07 52.15 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.89 HG22 ' HG2' ' A' ' 60' ' ' GLN . 97.1 t -36.66 123.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -66.64 112.07 8.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -25.49 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.24 31.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -127.45 -38.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 31' ' ' ILE . 21.5 mt -35.32 148.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LEU . 14.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 mt -145.65 159.99 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.98 169.64 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -100.52 29.17 4.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 38' ' ' TYR . 23.4 mt -125.3 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.41 -5.1 24.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 57.09 48.27 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.3 144.4 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.7 mt -38.63 133.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.0 mpp? -99.55 90.71 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -34.52 -45.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.3 t0 -126.74 74.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.94 104.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.0 m -103.72 117.33 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' A' ' 69' ' ' SER . 2.4 p -102.08 119.55 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.837 HD11 HG11 ' A' ' 63' ' ' VAL . 9.0 tt -81.62 132.95 53.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.76 -44.42 2.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 28.4 p -32.02 -48.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.0 -52.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.1 97.74 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.617 ' ND2' HG21 ' A' ' 57' ' ' THR . 76.6 m-20 -155.45 153.04 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -93.94 131.21 39.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.6 m-85 -146.33 155.9 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 44.8 m -70.88 135.2 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -35.8 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.1 pp20? -95.56 -45.59 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -45.93 -40.57 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.622 HG21 HG21 ' A' ' 29' ' ' VAL . 9.5 tp -80.4 -37.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ptm180 -63.27 -36.17 82.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.1 m -77.81 -40.07 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.9 -39.23 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.9 -51.57 15.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 44' ' ' ARG . 10.9 mp -60.75 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.5 pp20? -34.46 -40.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 99.6 p -107.8 103.26 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' ND1' ' A' ' 53' ' ' HIS . 5.2 m-20 -48.37 -37.82 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.81 -31.07 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 51' ' ' ASP . 43.2 m80 64.58 50.97 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' GLN . 28.2 m -103.14 136.39 43.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' HG22 ' A' ' 57' ' ' THR . 2.7 t -57.86 128.87 81.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.45 2.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.617 HG21 ' ND2' ' A' ' 36' ' ' ASN . 5.1 t -127.21 -32.96 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.4 p -128.76 168.03 16.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -85.28 64.97 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.62 ' HG3' HG22 ' A' ' 63' ' ' VAL . 8.2 tp60 -88.52 176.01 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -153.02 136.15 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER 36.81 54.02 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 31' ' ' ILE . 64.1 t -54.66 143.23 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.5 m -88.4 114.0 57.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.95 -37.22 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.06 -45.42 85.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 67' ' ' ALA . 43.8 mt -32.6 134.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.575 ' HB3' HG12 ' A' ' 30' ' ' VAL . 2.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.6 mt -90.24 165.28 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -77.23 164.46 25.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.55 39.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 82.8 mt -134.58 -70.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -102.26 -11.53 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 64.3 52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -134.09 143.32 47.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.2 mt -42.6 124.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -86.06 95.86 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -46.05 -43.13 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.3 m-20 -128.01 79.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.88 133.84 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 38' ' ' TYR . 11.5 m -134.93 128.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.43 123.86 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.707 HD11 HG11 ' A' ' 63' ' ' VAL . 6.9 tt -83.91 134.46 44.05 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.73 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' PRO . 28.1 p -30.15 -51.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.08 -55.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.31 104.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.436 HD21 HG21 ' A' ' 57' ' ' THR . 43.4 m-80 -160.92 156.28 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 p -96.73 128.16 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.8 m-85 -146.99 149.83 33.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ASP . 57.3 m -61.74 137.04 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -35.09 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.18 -45.45 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 m -43.61 -49.74 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 31' ' ' ILE . 6.9 tp -75.28 -39.06 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -54.6 -57.04 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' ALA . 44.1 m -60.71 -56.21 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.05 -56.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' HIS . 91.1 mt -52.3 -44.14 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' THR . 51.9 mt -67.07 -58.57 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -39.02 -55.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 p -60.08 166.34 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.93 -61.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.75 70.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.664 ' HB3' HD22 ' A' ' 47' ' ' LEU . 16.8 m170 39.51 42.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -68.99 100.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.7 t -43.19 133.09 3.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.696 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.54 27.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 0.0 112.372 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.436 HG21 HD21 ' A' ' 36' ' ' ASN . 13.4 m -83.08 -58.41 2.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.05 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.4 p -118.99 174.96 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -89.69 103.69 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.752 ' HG2' HG22 ' A' ' 63' ' ' VAL . 20.8 tp60 -115.95 170.79 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.53 96.57 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t0 67.77 52.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.752 HG22 ' HG2' ' A' ' 60' ' ' GLN . 64.5 t -43.64 138.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -81.14 111.26 22.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.4 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -49.18 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -44.3 -44.33 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 46.9 mt -35.8 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.694 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.908 0.385 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.72 153.47 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 p -89.86 168.16 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.65 29.33 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 42' ' ' CYS . 96.3 mt -125.81 -75.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 15.8 p -98.02 -6.45 31.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 58.94 53.05 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.9 t0 -126.82 142.3 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -43.33 118.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.694 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 43.0 mtm -86.45 88.24 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -54.17 -35.87 62.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.2 t0 -126.15 45.07 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -38.96 126.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 69' ' ' SER . 5.0 m -120.16 128.71 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -92.45 119.1 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.5 tt -72.41 137.17 80.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.77 -51.51 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -29.81 -52.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -135.06 -56.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 123.2 93.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.591 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 76.3 m-20 -138.12 161.51 36.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 81.9 p -100.85 121.77 42.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 27.8 m-85 -147.47 150.68 35.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLU . 39.9 m -65.87 135.92 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.84 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.6 pt-20 -92.5 -48.28 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -39.67 -54.16 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.0 tp -71.89 -30.39 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 2.6 tmm_? -61.2 -59.44 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 49' ' ' GLU . 20.9 m -62.54 -45.64 92.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.77 -46.52 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.35 -50.35 74.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HG2' HG22 ' A' ' 45' ' ' THR . 35.6 mm-40 -59.5 -56.11 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -45.11 133.56 6.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -45.43 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 41.3 mm-40 -134.82 53.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 6.9 m-70 34.71 44.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' GLN . 84.2 m -86.11 121.57 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.6 t -43.21 122.55 3.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 5.8 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.417 HG21 HD21 ' A' ' 36' ' ' ASN . 11.6 m -115.07 -60.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.3 p -115.42 160.65 19.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -76.03 95.14 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.674 ' NE2' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -137.65 171.42 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.413 ' ND2' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -89.68 -174.28 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 101.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.674 HG22 ' NE2' ' A' ' 60' ' ' GLN . 97.6 t -70.28 145.84 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 66' ' ' ASP . 25.2 t -73.78 129.13 85.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.69 0.757 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 9.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.222 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 64' ' ' SER . 29.7 t70 -112.54 -36.7 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.43 46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.2 mt -129.07 119.9 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.646 ' HB3' HG12 ' A' ' 29' ' ' VAL . 22.7 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -144.11 149.54 36.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -76.65 168.96 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.21 30.65 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 42' ' ' CYS . 79.6 mt -124.29 -74.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 31.4 p -98.05 -5.37 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt 58.99 55.08 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.6 m-20 -136.58 145.37 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.9 mm -39.85 132.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.96 80.91 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -38.04 -41.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 26' ' ' THR . 2.0 m-20 -130.29 81.22 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 137.18 18.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 43' ' ' ILE . 16.1 m -140.9 120.79 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -91.17 114.08 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 43' ' ' ILE . 6.6 tt -72.25 136.26 81.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.76 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.65 ' SG ' HD13 ' A' ' 31' ' ' ILE . 8.0 p -29.12 -53.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.02 -59.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 124.41 107.73 1.75 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -161.06 162.42 31.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 m -98.67 124.48 43.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -145.73 147.37 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.6 m -57.08 134.76 56.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -33.83 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 36.0 tt0 -91.89 -50.9 5.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.597 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -37.31 -48.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 31' ' ' ILE . 8.5 tp -79.9 -29.34 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -63.89 -56.62 13.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 49' ' ' GLU . 50.8 m -67.18 -43.21 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -49.28 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.58 -49.14 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.53 -55.89 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HG3' HG22 ' A' ' 45' ' ' THR . 49.3 mt-10 -38.37 -57.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -58.73 174.74 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -100.64 -42.73 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' HIS . 15.6 mt-10 -111.12 52.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' GLU . 7.7 m170 33.71 46.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -74.67 137.04 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.19 135.14 47.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.622 0.725 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -14.26 36.0 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -98.65 -56.55 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.65 173.36 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -90.39 91.59 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -111.84 170.73 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.11 -46.08 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.62 106.39 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.61 108.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -70.21 119.73 73.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.748 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.13 -41.93 94.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.58 -47.78 63.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.4 mt -36.53 148.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 29' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -137.27 150.0 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -77.28 167.96 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.17 37.07 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.554 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.6 mt -134.17 -75.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 30.8 p -97.25 -6.27 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 58.1 55.01 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.1 m-20 -132.78 149.53 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -42.88 130.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.543 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mpp? -92.63 82.27 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.39 -38.36 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ALA . 39.0 t70 -130.25 43.4 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 25' ' ' MET . . . -35.51 133.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 m -121.93 128.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.59 113.16 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.77 HD12 HD11 ' A' ' 43' ' ' ILE . 5.7 tt -76.62 135.47 68.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.2 Cg_endo -69.77 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 26.6 p -30.66 -50.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.04 -55.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.25 100.61 2.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.807 HD22 HG21 ' A' ' 57' ' ' THR . 65.9 m-20 -153.28 166.65 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.7 p -99.17 125.64 44.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -147.27 149.27 32.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 42' ' ' CYS . 21.1 m -65.89 131.29 45.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -35.2 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 7.2 pt-20 -87.72 -38.23 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -55.19 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 29' ' ' VAL . 6.1 tp -48.04 -28.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -56.31 -38.66 71.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 45' ' ' THR . . . -50.81 -44.32 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 13.3 mt -60.3 -42.78 96.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' GLU . 3.7 mm? -57.36 -46.42 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' LEU . 18.5 mt-10 -31.03 -62.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 75.0 m -97.51 115.1 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.9 p-10 -34.75 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' HIS . 12.9 mm-40 -97.8 109.0 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' GLU . 31.1 m170 -32.18 103.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -132.6 106.06 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 57' ' ' THR . 1.4 t -46.0 126.96 7.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.807 HG21 HD22 ' A' ' 36' ' ' ASN . 5.7 t -112.83 -32.1 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.421 ' HG ' ' CB ' ' A' ' 55' ' ' CYS . 14.3 p -130.07 158.57 39.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 53.2 t-80 -80.54 51.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 15.4 tp60 -59.52 174.82 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -40.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -163.22 138.01 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m -149.6 123.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.84 144.04 28.74 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.42 37.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.27 -41.22 57.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.75 91.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.555 HD21 HG13 ' A' ' 31' ' ' ILE . 79.6 mt -41.85 150.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 -179.859 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.917 0.389 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.9 mt -139.99 158.2 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -78.18 162.16 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.1 31.93 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.6 mt -126.41 -72.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.95 -0.12 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 53.47 44.7 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -123.79 142.32 51.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -40.58 131.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.63 98.15 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.806 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -44.66 -40.57 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.639 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -130.75 75.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.41 103.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 27' ' ' ASP . 17.4 m -106.23 123.0 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.97 114.69 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 33' ' ' CYS . 8.1 tt -70.29 136.93 86.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.702 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.8 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.392 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.5 p -31.97 -53.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.5 p -135.02 -55.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 120.81 107.78 2.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.675 HD22 HG21 ' A' ' 57' ' ' THR . 34.7 m-20 -159.07 162.67 36.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -99.28 123.77 43.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -145.31 135.95 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' CYS . 23.6 m -52.64 134.76 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.29 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 pm0 -93.33 -35.78 12.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.4 m -55.31 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.1 tp -70.12 -42.51 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 43' ' ' ILE . 25.2 ttt180 -53.7 -52.38 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' LEU . 28.2 m -72.21 -46.95 54.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.64 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.59 -39.32 83.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' THR . 45.0 mt -71.79 -65.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.3 -27.45 9.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 20.6 t -79.82 92.51 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 3.1 m-20 -35.42 -41.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 1.3 pp20? -111.75 109.32 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -54.54 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 60' ' ' GLN . 96.1 m -161.17 115.33 2.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -35.63 126.45 0.62 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.64 2.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.675 HG21 HD22 ' A' ' 36' ' ' ASN . 5.1 t -124.22 -43.93 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 57' ' ' THR . 16.7 p -116.45 168.87 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -87.89 68.75 9.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 54' ' ' THR . 47.4 tp60 -104.61 161.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -106.72 -179.61 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.3 t0 -33.6 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.2 t -84.85 148.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -70.69 118.68 67.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -15.92 37.1 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.93 32.76 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -119.42 -40.16 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 67' ' ' ALA . 31.7 mt -36.5 147.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.6 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.829 0.347 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -86.32 161.24 18.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 19.8 p -97.99 168.38 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -97.44 32.36 2.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 84.2 mt -128.96 -75.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -98.36 -5.41 32.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 60.26 46.11 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.83 141.49 52.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -45.21 115.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.425 ' CG ' ' HB3' ' A' ' 18' ' ' CYS . 50.4 mtm -75.75 94.88 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -48.45 -37.46 17.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.26 80.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.7 136.49 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 38' ' ' TYR . 4.2 m -137.58 133.76 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.44 117.25 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.697 HD13 ' SG ' ' A' ' 33' ' ' CYS . 10.6 tt -78.45 136.24 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.721 2.28 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.697 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.1 p -31.57 -52.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.8 p -134.98 -53.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 105.82 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.576 ' ND2' HG21 ' A' ' 57' ' ' THR . 48.8 m-80 -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 28.2 m -96.85 128.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.711 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.7 m-85 -145.93 157.33 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' GLU . 61.5 m -66.36 136.21 55.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.24 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.3 tt0 -90.62 -50.6 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -37.42 -58.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 29' ' ' VAL . 7.5 tp -64.13 -30.85 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD13 ' A' ' 48' ' ' LEU . 24.4 ttt85 -65.37 -44.45 87.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.51 HG22 ' CG ' ' A' ' 49' ' ' GLU . 53.8 m -66.68 -60.42 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.63 -63.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -42.39 -48.05 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 44' ' ' ARG . 7.8 mp -67.34 -58.7 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' HG22 ' A' ' 45' ' ' THR . 13.5 mm-40 -43.58 -57.01 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 164.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.26 -57.58 5.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.78 77.44 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.7 m170 44.23 41.76 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 m -79.48 111.76 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.48 129.3 69.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.64 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.628 2.218 . . . . 0.0 112.389 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.576 HG21 ' ND2' ' A' ' 36' ' ' ASN . 10.9 m -118.8 -52.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.11 168.4 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -81.04 87.43 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -116.24 159.99 21.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -120.39 -39.36 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.96 124.02 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -124.83 136.82 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 95.4 p -93.38 109.65 41.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.5 Cg_endo -69.86 2.96 3.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.69 -45.36 6.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -50.92 -41.78 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -34.31 145.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.2 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.61 150.83 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -87.11 170.14 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.97 33.52 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.4 mt -130.37 -71.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -102.52 -0.16 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 50.42 54.57 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -132.86 143.55 49.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -44.04 127.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -97.18 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 t -54.02 -41.77 68.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.6 m-20 -125.91 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.49 107.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.5 m -99.54 117.72 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' ASN . 2.7 p -103.71 116.09 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.701 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.5 tt -71.7 136.31 83.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.63 -48.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.416 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.701 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -30.86 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.4 p -135.02 -54.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 125.95 94.18 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.641 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -139.98 145.13 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.909 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -93.33 127.27 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' VAL . 41.6 m-85 -144.36 160.46 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' GLU . 56.4 m -71.72 138.74 48.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -37.95 -30.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 13.8 pt-20 -95.26 -45.43 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -43.22 -61.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.615 HG21 HG21 ' A' ' 29' ' ' VAL . 10.2 tp -61.97 -27.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.64 79.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 49' ' ' GLU . 60.5 m -76.31 -55.55 5.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.68 -60.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 mt -47.75 -47.17 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.1 mt -66.96 -61.09 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.484 ' HG3' HG22 ' A' ' 45' ' ' THR . 17.1 mt-10 -33.63 -52.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 11.3 t -68.07 134.86 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -35.25 -61.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.57 170.95 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -69.99 87.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' CYS . 19.5 m -129.73 99.08 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' THR . 53.6 t -37.23 127.6 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.1 34.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.608 2.205 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 m -94.08 -51.15 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 19.5 p -130.8 113.63 14.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.603 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 28.7 p-80 -37.2 104.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.75 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -120.73 139.84 52.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.75 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -62.56 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -147.88 127.48 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.468 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -115.12 120.41 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 t -67.24 119.97 68.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.711 0.767 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.1 9.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.42 -52.26 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -45.78 -44.79 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' ALA . 55.8 mt -34.13 148.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.07 160.52 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 p -92.08 -173.1 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -103.93 -22.8 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 21' ' ' CYS . 48.2 mt -75.26 -76.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 20' ' ' ILE . 14.0 p -99.99 13.18 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.4 46.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -121.81 148.52 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.7 mt -42.65 131.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.4 mtm -98.75 90.98 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -39.55 -44.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -128.17 87.42 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.73 128.3 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 43' ' ' ILE . 26.4 m -127.87 119.02 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.73 118.06 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -80.69 135.91 52.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 111.192 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.4 Cg_endo -69.68 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 31' ' ' ILE . 13.1 p -30.04 -52.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.98 -56.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.14 96.52 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.589 HD22 HG21 ' A' ' 57' ' ' THR . 25.3 m-80 -148.45 158.62 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 p -96.32 127.42 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -145.72 146.2 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASP . 40.2 m -61.34 136.26 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -34.97 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.58 -42.08 15.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -45.44 -67.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 29' ' ' VAL . 10.9 tp -60.0 -26.97 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 48' ' ' LEU . 17.9 tpp180 -69.35 -32.87 72.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.637 HG22 ' HG2' ' A' ' 49' ' ' GLU . 57.5 m -89.41 -45.5 9.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.58 -42.98 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 53' ' ' HIS . 68.6 mt -68.22 -42.89 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 44' ' ' ARG . 4.6 mm? -64.67 -57.74 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.637 ' HG2' HG22 ' A' ' 45' ' ' THR . 61.1 mm-40 -33.23 -65.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 26.2 p -67.79 143.29 55.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.5 m-20 -34.62 -45.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' THR . 36.0 mt-10 -130.09 169.26 15.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.7 m170 -56.59 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' GLU . 76.5 m -106.16 129.18 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -79.49 122.93 84.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.595 0.712 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.23 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.589 HG21 HD22 ' A' ' 36' ' ' ASN . 1.2 t -128.73 -45.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.17 -7.49 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 24.8 m-70 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -55.71 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.16 95.27 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 74.91 53.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.603 HG22 ' OE1' ' A' ' 60' ' ' GLN . 59.5 t -49.88 159.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.52 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.0 m -101.03 104.2 30.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.717 0.77 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 54.0 Cg_endo -69.71 0.79 5.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.59 -31.62 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -68.59 -43.56 76.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.2 mt -34.64 145.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t 49.06 42.18 20.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -111.22 -44.75 3.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.98 -179.23 16.35 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.44 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t 59.56 41.87 18.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -89.53 92.61 9.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.66 130.56 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.545 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -87.4 138.65 31.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -117.76 161.91 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -103.22 129.38 25.65 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.636 0.731 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 12' ' ' ILE . 54.4 Cg_endo -69.68 173.68 10.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.383 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' PRO . 97.0 mt -35.04 124.9 0.56 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.686 0.755 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.48 45.75 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.63 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.49 -45.53 92.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -42.28 -25.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 14' ' ' ASP . 39.9 mt -100.9 33.48 2.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 14' ' ' ASP . 70.3 mt -138.14 159.04 43.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.5 p -82.77 158.36 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 mt -96.89 38.8 1.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.0 mt -133.01 -69.85 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -105.62 -4.66 20.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt 56.64 50.49 12.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -130.22 141.73 50.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.6 mt -40.32 129.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -90.31 87.24 6.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.946 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.9 t -41.28 -36.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' ' 29' ' ' VAL . 9.2 t70 -131.68 77.43 1.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.13 127.48 6.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.6 m -129.57 122.78 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.82 116.33 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.737 HD11 HG21 ' A' ' 63' ' ' VAL . 8.5 tt -76.51 137.17 67.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.77 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.713 2.276 . . . . 0.0 112.301 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.643 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.3 p -30.88 -52.63 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.0 p -134.99 -55.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.24 106.3 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.447 HD21 HG21 ' A' ' 57' ' ' THR . 29.5 m-80 -157.82 160.06 37.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 59.6 p -94.9 122.45 37.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.57 ' O ' HG22 ' A' ' 29' ' ' VAL . 52.1 m-85 -145.11 146.35 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.911 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' ASP . 29.6 m -60.98 139.36 58.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.64 -35.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.6 pt-20 -90.86 -50.16 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.5 m -36.97 -56.78 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.582 HD11 HD12 ' A' ' 31' ' ' ILE . 4.5 tp -66.75 -30.88 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 32.6 ttm180 -65.01 -57.02 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 49' ' ' GLU . 92.4 m -61.79 -51.55 67.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.14 -64.72 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.107 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.8 mt -45.91 -35.56 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' THR . 61.0 mt -74.8 -51.39 14.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 45' ' ' THR . 38.2 mt-10 -34.07 -63.23 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 51.1 m -64.06 152.02 41.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -34.98 -50.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -134.01 176.43 8.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -61.63 82.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.0 m -121.69 96.83 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 20.8 t -39.01 138.02 0.86 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.73 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -49.13 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.447 HG21 HD21 ' A' ' 36' ' ' ASN . 13.3 m -57.27 -57.24 13.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.177 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.6 p -126.15 115.38 19.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 28.7 p-80 -45.74 99.97 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.502 ' OE1' ' N ' ' A' ' 63' ' ' VAL . 9.0 tm0? -112.54 171.82 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.29 95.8 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.3 54.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.737 HG21 HD11 ' A' ' 31' ' ' ILE . 7.3 p -63.29 118.21 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.0 m -40.78 101.44 0.24 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.66 0.743 . . . . 0.0 110.937 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.57 28.27 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.626 2.217 . . . . 0.0 112.387 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -81.48 -36.9 28.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.18 -35.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 40.5 mt -42.0 155.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.8 p -75.96 49.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -129.76 97.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 70' ' ' GLY . 53.7 Cg_endo -69.77 -10.14 27.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.601 2.201 . . . . 0.0 112.331 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -87.07 41.02 0.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.836 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.1 m 60.22 41.4 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.072 -0.849 . . . . 0.0 112.584 -179.94 . . . . . . . . 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 -0.313 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -84.44 131.55 34.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.8 p -84.99 85.88 7.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.72 -87.19 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m 60.57 41.81 14.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.88 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.4 m -75.41 156.21 35.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.68 -175.75 14.2 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -79.88 151.39 30.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -81.66 172.99 12.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.62 126.25 62.48 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.567 0.698 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 158.36 57.34 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG13 HD11 ' A' ' 24' ' ' ILE . 27.4 mm -40.18 124.55 1.69 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.589 0.709 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.8 Cg_endo -69.75 162.21 42.95 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' HA ' HD12 ' A' ' 17' ' ' LEU . 23.3 t0 -65.92 -40.47 91.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -49.41 -18.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.546 HD12 ' HG2' ' A' ' 13' ' ' PRO . 44.0 mt -109.66 31.48 5.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.858 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 14' ' ' ASP . 94.7 mt -130.12 153.5 48.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -81.18 162.39 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.22 26.33 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.478 HD12 ' HB3' ' A' ' 42' ' ' CYS . 90.0 mt -120.07 -75.31 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.3 p -98.94 -4.44 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER 57.95 45.26 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.913 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -127.44 145.42 50.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.424 HD11 HG13 ' A' ' 12' ' ' ILE . 60.8 mt -41.11 132.95 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -95.23 98.22 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 t -48.51 -34.49 11.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.184 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.55 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.9 t70 -134.44 80.86 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.29 115.23 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 27' ' ' ASP . 26.4 m -118.96 133.99 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -106.91 114.57 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.682 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.8 tt -72.68 133.69 82.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.739 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.76 -41.97 3.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.641 2.228 . . . . 0.0 112.342 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.682 ' SG ' HD13 ' A' ' 31' ' ' ILE . 27.7 p -36.68 -53.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.9 p -134.98 -51.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 117.3 103.91 2.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.554 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -157.21 159.89 38.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.5 p -99.74 125.54 45.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.777 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -145.94 150.24 35.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 41' ' ' GLU . 29.2 m -63.08 133.85 55.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' CYS . 1.1 p-10 -35.54 -32.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 39' ' ' CYS . 16.9 pt-20 -91.59 -45.4 8.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.496 ' O ' HG22 ' A' ' 45' ' ' THR . 1.7 m -44.48 -67.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.7 tp -49.6 -37.76 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -65.74 -70.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 42' ' ' CYS . 1.9 t -42.46 -37.18 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.17 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.042 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.8 mt -70.15 -33.02 71.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -66.38 -63.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' CD ' ' N ' ' A' ' 50' ' ' SER . 2.8 pp20? -49.12 -51.12 33.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.9 m -55.45 116.89 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.851 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' SER . 50.7 m-20 -34.16 -42.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -132.03 159.62 38.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.88 83.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -123.38 135.84 54.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 47.7 t -70.12 129.85 90.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 5.08 1.83 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.2 m -118.39 -60.24 1.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.3 p -112.07 159.54 18.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 39.1 t-80 -75.84 87.75 2.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.662 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -107.74 139.01 42.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.662 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.4 OUTLIER -64.23 -65.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 37.3 m-20 -150.13 119.89 7.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 31' ' ' ILE . 85.5 t -104.22 121.08 55.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -80.25 132.02 60.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.349 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -87.22 -45.98 10.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -55.2 -44.08 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.6 mt -37.34 137.31 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.432 ' O ' HG12 ' A' ' 29' ' ' VAL . 69.0 p -57.99 143.11 44.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.09 -134.25 2.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 126.03 12.84 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -82.43 145.54 29.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.9 m -121.32 119.89 33.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.467 179.999 . . . . . . . . 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 1.452 -0.288 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -109.34 -51.93 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -53.17 -46.69 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.817 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.85 170.24 30.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.1 p -151.61 134.6 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.804 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 m -71.15 154.46 41.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.9 87.94 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -85.31 89.44 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.929 0.395 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -93.34 161.43 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -127.31 131.35 23.8 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.64 0.733 . . . . 0.0 110.833 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 163.94 36.42 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.403 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.4 mm -46.4 127.32 7.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.5 Cg_endo -69.79 169.98 17.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.648 2.232 . . . . 0.0 112.368 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.7 t0 -67.65 -41.87 83.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.831 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -46.81 -21.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 13' ' ' PRO . 23.1 mt -108.22 32.98 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 14' ' ' ASP . 85.0 mt -135.63 142.49 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.15 -173.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -104.46 -20.79 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.815 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.8 mt -72.83 -75.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' LYS . 31.1 p -100.17 8.87 43.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.6 55.1 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 24' ' ' ILE . 1.7 t70 -133.13 148.45 52.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -35.88 127.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.9 mpp? -93.59 93.02 7.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.1 t -46.93 -42.16 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.159 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.49 ' O ' HG13 ' A' ' 29' ' ' VAL . 7.3 m-20 -133.38 51.18 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.558 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -37.2 133.68 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 27' ' ' ASP . 5.1 m -133.09 127.85 55.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.2 t -87.89 126.75 41.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.52 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -82.75 137.21 44.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.695 0.759 . . . . 0.0 111.034 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -52.13 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.723 2.282 . . . . 0.0 112.298 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 14.3 p -29.54 -52.94 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.96 -57.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 101.44 1.97 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.523 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -152.51 162.95 40.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 19.3 m -92.44 121.4 33.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.429 ' CD1' ' O ' ' A' ' 37' ' ' SER . 40.9 m-85 -147.35 126.44 12.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.94 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ASP . 23.7 m -46.78 135.69 8.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 3.1 t0 -33.3 -36.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' CYS . 7.1 pt-20 -89.15 -43.09 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.815 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.2 m -42.82 -58.42 2.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HD11 HD12 ' A' ' 31' ' ' ILE . 10.4 tp -63.95 -35.99 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -56.82 -58.98 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 46' ' ' ALA . 85.9 m -63.87 -55.99 18.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.24 -60.02 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.496 HD21 ' CG1' ' A' ' 63' ' ' VAL . 59.5 mt -50.07 -46.7 53.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 58.0 mt -65.53 -61.49 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -36.75 -58.24 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.9 m -55.49 178.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.17 -66.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' HIS . 1.9 tp10 -172.29 117.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.452 ' CB ' ' HA ' ' A' ' 62' ' ' ASP . 31.9 m170 38.15 47.27 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' GLN . 24.6 m -111.35 114.85 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.128 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.5 t -62.27 120.75 61.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.709 0.766 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 3.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -104.68 -57.05 2.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' HIS . 23.6 p -113.57 30.98 6.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' CYS . 12.2 m80 33.03 44.82 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.656 ' O ' HG23 ' A' ' 54' ' ' THR . 10.5 tm0? -63.09 171.35 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -128.01 96.36 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.452 ' HA ' ' CB ' ' A' ' 53' ' ' HIS . 7.3 m-20 74.33 54.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 63' ' ' VAL . 13.9 p -64.11 119.99 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.6 t -43.94 103.18 0.31 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.569 0.7 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -18.36 37.2 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.347 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -82.38 -44.63 15.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -41.15 -41.71 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.125 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . 42.2 mt -36.44 146.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 t -65.0 156.53 31.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 162.22 154.75 7.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 -30.14 22.29 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.8 m -111.13 130.12 55.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.5 t -134.12 147.23 50.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.424 179.989 . . . . . . . . 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 -0.313 0 N-CA-C 112.383 -0.287 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -59.29 114.34 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 p -63.9 125.22 23.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.13 -94.38 0.15 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -81.45 151.81 27.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -49.55 -50.06 43.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.08 161.07 34.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -77.1 160.04 29.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.49 146.13 26.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.4 139.8 26.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 159.04 54.88 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.311 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mm -83.32 120.2 75.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 111.094 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 169.12 19.72 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.336 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 17' ' ' LEU . 25.1 m-20 -71.99 -50.59 27.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' ASP . 17.4 pt-20 -37.05 -30.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.56 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.4 mt -84.47 -42.05 15.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 14' ' ' ASP . 75.6 mt -80.43 159.17 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.4 p -85.85 166.29 16.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -96.99 29.3 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 85.0 mt -123.69 -75.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 19.3 p -97.02 -9.73 27.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm 62.66 54.91 2.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.967 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 22.0 t70 -131.95 143.36 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.1 mt -46.03 121.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 32.4 mtm -90.9 95.89 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.1 t -49.05 -30.82 6.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.749 ' O ' HG13 ' A' ' 29' ' ' VAL . 12.4 t0 -132.46 72.23 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.29 109.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 27' ' ' ASP . 34.5 m -114.16 117.06 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.5 t -90.22 140.85 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.671 HD13 ' SG ' ' A' ' 33' ' ' CYS . 7.1 tt -99.36 136.36 20.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.635 0.731 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.74 -50.53 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.671 ' SG ' HD13 ' A' ' 31' ' ' ILE . 10.9 p -30.56 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 3.5 p -134.97 -63.23 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 128.28 64.11 0.12 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 9.6 m-20 -137.5 145.05 42.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -94.49 144.02 25.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 83.8 m-85 -147.66 163.12 37.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' GLU . 78.7 m -59.05 133.99 56.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.95 -26.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 39' ' ' CYS . 5.3 tp10 -95.84 -51.7 4.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -36.73 -69.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 29' ' ' VAL . 9.2 tp -56.71 -29.56 30.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.101 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -62.68 -51.74 66.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' LEU . 30.1 m -76.39 -48.09 21.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -33.95 -40.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.7 mt -75.23 -45.85 37.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 49' ' ' GLU . 23.4 mt -63.01 -56.48 16.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.982 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 48' ' ' LEU . 1.5 tm-20 -32.05 -41.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -119.51 113.67 21.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 -179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.46 -31.26 14.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -60.88 -29.74 69.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.5 m170 63.9 43.68 5.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 94.8 m -90.69 134.45 34.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 13.1 t -62.41 132.66 94.28 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.719 . . . . 0.0 110.819 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 2.81 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.682 2.255 . . . . 0.0 112.33 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.449 HG21 HD21 ' A' ' 36' ' ' ASN . 91.7 m -123.52 -65.12 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 16.8 p -95.16 166.67 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.69 83.99 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' OE1' HG23 ' A' ' 63' ' ' VAL . 11.8 tm0? -110.01 164.86 12.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -106.07 -61.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' N ' ' OE1' ' A' ' 60' ' ' GLN . 4.3 t70 -140.48 124.59 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.546 HG11 HD11 ' A' ' 31' ' ' ILE . 89.6 t -115.22 132.34 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.176 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 t -77.43 126.11 85.26 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.638 0.733 . . . . 0.0 110.874 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 2.84 3.2 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.683 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.78 -41.98 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -52.6 -45.61 66.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 67' ' ' ALA . 45.3 mt -36.67 152.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 m -85.23 86.64 7.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.97 129.31 1.04 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 171.79 13.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.285 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.2 m -137.64 146.83 44.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.7 t -128.39 119.75 25.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.483 -179.962 . . . . . . . . 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 -0.332 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -110.75 131.08 55.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.375 . . . . 0.0 110.84 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -108.62 99.98 9.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.6 159.68 13.71 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 p -119.52 -60.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 p -130.44 117.55 19.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.17 62.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.497 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -94.7 119.74 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -106.65 163.0 13.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -132.2 123.27 18.69 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.569 0.7 . . . . 0.0 110.835 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 179.44 3.67 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.4 mt -52.53 129.83 44.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.785 2.323 . . . . 0.0 112.349 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -73.79 -40.06 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.54 -25.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.2 mt -97.84 28.44 3.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ASP . 96.3 mt -134.5 150.11 50.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.939 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.42 161.04 27.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -99.17 41.56 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.667 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.6 mt -134.5 -71.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 26.1 p -103.08 -10.76 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.8 mmtp 64.2 53.7 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 9.0 t0 -134.3 143.57 47.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.829 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 76.7 mt -40.79 124.73 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -80.55 91.85 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.4 t -45.61 -40.48 8.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.195 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.533 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.4 t70 -131.24 75.71 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.55 127.69 2.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG21 HG21 ' A' ' 43' ' ' ILE . 7.5 m -132.63 124.84 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.9 t -100.98 118.29 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.605 HD12 HD11 ' A' ' 43' ' ' ILE . 7.6 tt -75.4 137.05 71.41 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.6 0.714 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.635 ' HG3' ' HB3' ' A' ' 67' ' ' ALA . 53.4 Cg_endo -69.8 -49.42 0.56 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.65 2.234 . . . . 0.0 112.344 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.536 ' SG ' HD13 ' A' ' 31' ' ' ILE . 20.9 p -31.48 -51.94 0.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.8 p -134.95 -55.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.509 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.02 100.42 1.72 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.822 HD21 HG21 ' A' ' 57' ' ' THR . 69.0 m-80 -153.29 154.93 35.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.1 m -94.16 127.23 39.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 59.3 m-85 -146.28 155.92 43.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 41' ' ' GLU . 41.9 m -65.97 136.81 56.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.25 -32.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 44' ' ' ARG . 10.7 pt-20 -94.83 -50.35 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.667 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -36.86 -50.63 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD12 ' A' ' 31' ' ' ILE . 7.0 tp -76.71 -27.35 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 41' ' ' GLU . 12.1 ttm180 -66.42 -51.28 58.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.42 HG22 ' HG2' ' A' ' 49' ' ' GLU . 95.3 m -71.97 -44.93 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -39.94 -41.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 53' ' ' HIS . 36.7 mt -64.84 -42.13 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.1 mp -69.69 -47.11 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HG22 ' A' ' 45' ' ' THR . 24.7 mm-40 -51.45 -60.32 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 34.1 m -53.1 158.78 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -54.46 -61.03 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' HIS . 32.9 mp0 -132.51 81.13 1.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.468 ' CG ' ' HB3' ' A' ' 47' ' ' LEU . 11.3 m170 32.98 42.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' CYS . 88.9 m -78.18 93.81 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.459 ' C ' ' O ' ' A' ' 54' ' ' THR . 48.0 t -33.64 125.62 0.45 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 5.34 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.822 HG21 HD21 ' A' ' 36' ' ' ASN . 33.0 m -114.49 -58.28 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.3 p -121.78 165.4 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -72.29 91.6 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.5 tp60 -112.66 168.96 9.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.19 105.29 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 67.53 54.45 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 31' ' ' ILE . 84.0 t -38.65 158.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.525 ' N ' HG12 ' A' ' 63' ' ' VAL . 1.3 m -98.29 102.26 13.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.741 . . . . 0.0 110.862 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -103.9 -27.34 12.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.635 ' HB3' ' HG3' ' A' ' 32' ' ' PRO . . . -86.97 37.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.77 157.79 17.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.969 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.6 m -83.84 44.15 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -44.53 -77.31 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.75 12.0 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 t -66.54 -52.96 40.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 63.6 p -42.37 140.71 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.459 -179.967 . . . . . . . . 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 1.45 -0.373 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -142.62 157.24 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -101.23 122.52 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.39 82.21 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -122.04 137.36 54.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 p -164.66 158.88 18.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.36 -48.84 11.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -121.38 112.63 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -86.65 84.74 7.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -142.42 134.33 13.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.528 0.68 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -179.84 3.17 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.647 2.231 . . . . 0.0 112.42 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.9 mt -81.11 130.71 61.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.675 ' HG2' HD12 ' A' ' 16' ' ' LEU . 54.5 Cg_endo -69.72 169.38 19.0 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.721 2.28 . . . . 0.0 112.388 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.776 ' HA ' HD12 ' A' ' 17' ' ' LEU . 11.3 t0 -71.04 -47.19 59.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -41.91 -28.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 ' HG2' ' A' ' 13' ' ' PRO . 21.4 mt -100.52 38.09 1.58 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 14' ' ' ASP . 61.4 mt -141.55 151.77 43.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -79.16 158.27 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.44 41.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 42' ' ' CYS . 80.4 mt -134.96 -70.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.08 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 p -103.38 -9.52 19.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 61.16 50.97 4.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -129.24 140.54 51.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.651 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.0 mp -42.0 123.48 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -81.71 114.84 20.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.2 t -63.12 -44.26 96.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.694 ' O ' HG13 ' A' ' 29' ' ' VAL . 42.3 m-20 -128.49 79.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.15 118.39 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 27' ' ' ASP . 27.4 m -123.95 121.87 63.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.5 t -92.64 124.47 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.797 HD12 HD11 ' A' ' 43' ' ' ILE . 8.8 tt -81.51 136.57 48.76 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.6 0.714 . . . . 0.0 111.182 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.5 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.69 2.26 . . . . 0.0 112.348 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.703 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -32.39 -50.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.1 p -135.09 -56.11 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.85 98.04 1.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.472 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -154.24 165.66 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.349 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.8 m -101.68 128.05 48.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -147.19 154.0 40.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' GLU . 66.3 m -65.87 135.29 54.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.48 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.5 pt-20 -90.11 -47.86 7.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -40.83 -57.73 1.86 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.797 HD11 HD12 ' A' ' 31' ' ' ILE . 5.7 tp -68.7 -39.51 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' N ' HG23 ' A' ' 43' ' ' ILE . 12.5 ttm-85 -54.87 -66.99 0.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 65.6 m -57.02 -43.93 82.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.92 -49.91 3.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.0 mt -67.26 -43.57 81.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -52.7 -47.46 67.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -64.31 -45.11 89.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 90.9 p -76.64 96.83 4.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -44.3 -42.49 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 53' ' ' HIS . 43.4 mt-10 -94.34 44.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.516 ' C ' ' O ' ' A' ' 52' ' ' GLU . 34.5 m170 28.87 41.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 52' ' ' GLU . 17.8 m -69.11 139.19 54.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.051 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.405 ' CB ' ' SG ' ' A' ' 58' ' ' CYS . 1.8 t -86.39 134.74 37.61 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.729 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -12.71 33.36 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -111.46 -32.74 6.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 55' ' ' CYS . 13.9 p -127.74 169.03 14.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -89.55 72.26 7.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -93.96 166.98 11.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.61 -40.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -124.28 103.78 8.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 78.5 t -115.46 136.32 52.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.0 m -103.26 116.37 62.35 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.73 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.93 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.383 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.97 -36.64 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.42 43.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.35 163.97 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 12.5 t -96.51 87.35 4.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -171.18 123.28 1.02 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.28 16.95 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.288 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.2 m -105.45 169.57 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.791 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 77.9 p -166.44 169.69 13.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.436 179.927 . . . . . . . . 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 -0.343 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.9 m -129.11 172.86 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.8 p -143.17 119.89 11.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.87 74.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.5 p -131.73 135.64 46.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -97.77 134.27 41.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.13 84.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.59 133.75 47.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -133.23 159.55 39.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -126.19 126.37 24.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.749 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 170.26 17.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 64.7 mt -46.79 131.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 111.113 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 167.07 25.46 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.742 2.295 . . . . 0.0 112.362 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HA ' HD12 ' A' ' 17' ' ' LEU . 39.8 t0 -66.2 -41.02 90.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.8 -27.04 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.8 mt -103.5 32.66 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 14' ' ' ASP . 54.4 mt -142.35 151.01 41.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -75.35 163.13 27.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 mt -100.8 37.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.587 HD12 ' HB3' ' A' ' 42' ' ' CYS . 81.4 mt -130.85 -71.09 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.0 p -103.79 -7.76 20.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm 60.71 54.9 3.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -133.15 148.98 52.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 65.3 mt -48.18 124.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -84.13 90.32 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -41.42 -40.82 1.85 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.3 m-20 -133.68 83.57 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.02 138.05 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 38' ' ' TYR . 12.7 m -136.92 118.27 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.1 t -94.29 117.3 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.662 HD12 HD11 ' A' ' 43' ' ' ILE . 7.2 tt -77.37 137.17 64.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.614 0.721 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.8 -51.23 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' HD13 ' A' ' 31' ' ' ILE . 12.8 p -30.43 -52.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.0 p -134.98 -57.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.57 103.07 1.7 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.411 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -156.06 161.9 40.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -98.97 125.96 44.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.656 ' O ' HG22 ' A' ' 29' ' ' VAL . 63.6 m-85 -145.41 149.14 34.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 40' ' ' ASP . 39.8 m -60.22 136.37 58.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -35.6 -34.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.453 ' CD ' ' N ' ' A' ' 42' ' ' CYS . 3.1 pp20? -89.52 -48.39 7.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.587 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -40.0 -62.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.662 HD11 HD12 ' A' ' 31' ' ' ILE . 9.6 tp -59.76 -42.12 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 43' ' ' ILE . 24.8 ttm-85 -52.54 -51.76 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' LEU . 51.7 m -65.01 -53.06 52.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.17 -44.31 0.39 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.025 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.405 ' HB3' ' ND1' ' A' ' 53' ' ' HIS . 80.2 mt -67.19 -41.71 85.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' THR . 42.0 mt -64.94 -59.39 4.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -40.14 -55.25 2.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -61.3 155.88 20.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.96 -47.65 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -110.1 44.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 47' ' ' LEU . 8.8 m170 41.99 42.81 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.8 m -68.77 135.29 51.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.152 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' H ' ' A' ' 57' ' ' THR . 39.9 t -75.37 131.71 77.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.744 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 9.88 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.64 2.227 . . . . 0.0 112.304 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 55' ' ' CYS . 14.9 m -123.05 -63.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.9 p -113.3 157.4 21.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.946 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -72.32 97.94 2.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.807 ' HG2' HG22 ' A' ' 63' ' ' VAL . 3.7 tp60 -123.35 167.68 13.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.28 109.11 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 68.49 51.29 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.807 HG22 ' HG2' ' A' ' 60' ' ' GLN . 50.9 t -56.08 140.3 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.8 p -67.75 111.67 8.27 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.666 0.746 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -41.36 4.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -81.84 36.75 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -133.53 32.54 3.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 31' ' ' ILE . 19.2 mt -112.49 156.79 22.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.5 t -74.88 110.8 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 175.45 -140.58 5.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.293 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.6 m -67.18 -55.03 15.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.8 p -60.18 139.92 57.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.527 179.976 . . . . . . . . 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 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.1 p -162.37 122.51 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.92 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -90.95 151.59 21.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.42 145.73 17.65 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.0 m -50.5 141.95 11.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.3 m -57.02 175.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.91 54.48 0.54 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.486 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -46.45 151.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -126.83 154.32 44.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.04 125.75 67.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.701 0.762 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 159.93 51.63 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.705 2.27 . . . . 0.0 112.371 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.1 mm -57.58 120.22 39.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HG2' HD12 ' A' ' 16' ' ' LEU . 54.0 Cg_endo -69.69 163.92 36.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -65.9 -33.12 75.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -56.96 -20.12 21.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD12 ' HG2' ' A' ' 13' ' ' PRO . 23.8 mt -109.77 19.87 18.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -124.95 145.4 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 p -72.9 167.89 20.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -101.24 33.44 2.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -131.88 -74.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.0 p -98.07 3.23 49.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 46.24 47.18 13.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -128.24 141.96 51.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 58.8 mt -38.64 129.12 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 2.4 mpp? -89.9 77.77 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 t -43.43 -36.3 1.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' O ' HG13 ' A' ' 29' ' ' VAL . 6.5 m-20 -127.6 43.59 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -33.41 141.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.6 m -137.34 117.53 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.19 123.45 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.517 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 5.2 tt -88.43 135.85 32.24 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.683 0.754 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.72 -51.58 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.658 2.238 . . . . 0.0 112.361 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 24.1 p -28.79 -47.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.2 p -134.96 -55.88 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 144.22 -31.88 1.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.836 HD21 HG21 ' A' ' 57' ' ' THR . 5.0 m-20 -39.59 142.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.809 0.338 . . . . 0.0 110.908 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -105.72 148.07 27.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.535 ' O ' HG22 ' A' ' 29' ' ' VAL . 42.7 m-85 -147.32 163.89 34.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' GLU . 25.0 m -64.85 134.23 53.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.4 OUTLIER -37.35 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 12.1 pt-20 -93.27 -44.04 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.3 m -44.3 -72.67 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 44' ' ' ARG . 6.0 tp -54.47 -47.86 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.174 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.506 ' N ' HG23 ' A' ' 43' ' ' ILE . 29.9 ttp180 -41.15 -57.17 2.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' LEU . 96.3 m -71.07 -49.01 49.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.1 -61.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.842 HD21 HG12 ' A' ' 63' ' ' VAL . 27.7 mt -46.47 -38.0 8.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 45' ' ' THR . 10.0 mp -75.64 -47.79 24.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HG3' HG22 ' A' ' 45' ' ' THR . 35.7 mt-10 -38.6 -65.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 51' ' ' ASP . 40.7 t -59.69 128.17 35.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 50' ' ' SER . 25.9 t70 -34.39 -45.59 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' HIS . 0.7 OUTLIER -121.82 113.64 19.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.591 ' HB3' HD22 ' A' ' 47' ' ' LEU . 25.4 m80 -35.34 104.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.631 HG23 ' H ' ' A' ' 60' ' ' GLN . 87.7 m -148.02 112.28 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.176 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' THR . 13.8 t -33.52 132.45 0.36 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.656 0.741 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 4.14 2.38 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.734 2.289 . . . . 0.0 112.274 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.836 HG21 HD21 ' A' ' 36' ' ' ASN . 88.6 m -124.2 -73.46 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.174 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.422 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 21.4 p -96.44 111.86 23.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.565 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 24.7 p-80 -39.25 110.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.631 ' H ' HG23 ' A' ' 54' ' ' THR . 17.9 tp60 -130.22 171.47 12.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -125.62 98.19 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 55.92 53.93 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.842 HG12 HD21 ' A' ' 47' ' ' LEU . 4.2 p -43.72 121.52 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 2.4 m -43.05 105.39 0.42 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.667 0.746 . . . . 0.0 110.812 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.7 Cg_endo -69.84 -30.95 21.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.686 2.257 . . . . 0.0 112.378 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -88.17 30.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.02 31.86 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' SER . 21.1 mt -109.3 153.94 23.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.5 t -37.51 -40.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.0 144.54 46.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.3 Cg_endo -69.75 7.82 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.616 2.211 . . . . 0.0 112.413 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.502 ' C ' ' O ' ' A' ' 71' ' ' PRO . 53.2 p -29.97 -48.59 0.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' SER . 42.5 p -34.02 -56.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.191 -0.783 . . . . 0.0 112.466 -179.999 . . . . . . . . 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 1.452 -0.282 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 p -81.71 46.3 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.923 0.392 . . . . 0.0 110.953 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -83.78 146.19 28.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.24 -153.06 24.66 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.548 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -153.36 168.85 24.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.965 0.412 . . . . 0.0 110.809 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.9 p -47.97 169.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 157.79 22.49 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -91.6 137.09 32.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.61 168.69 20.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -114.16 137.02 22.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.556 0.693 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 168.04 22.76 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -71.45 129.43 88.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.71 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.764 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.8 Cg_endo -69.72 170.85 15.58 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.335 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.49 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -74.99 -42.85 56.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -46.23 -23.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.764 HD12 ' HG2' ' A' ' 13' ' ' PRO . 21.2 mt -101.25 34.27 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD12 ' HA ' ' A' ' 14' ' ' ASP . 76.2 mt -140.79 156.16 46.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 p -78.58 159.83 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 mt -99.47 41.72 1.14 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.462 HD12 ' HB3' ' A' ' 42' ' ' CYS . 64.5 mt -134.26 -68.94 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 20.2 p -105.26 -10.71 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt 63.73 55.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 18.1 t70 -136.91 141.85 42.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 81.1 mt -41.45 128.11 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -88.97 100.13 12.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.2 t -45.52 -37.86 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.671 ' O ' HG13 ' A' ' 29' ' ' VAL . 2.0 m-20 -134.32 74.43 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.75 123.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 38' ' ' TYR . 17.6 m -126.41 117.45 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -93.57 133.67 33.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.745 HD11 HG11 ' A' ' 63' ' ' VAL . 8.7 tt -98.63 133.92 22.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.639 0.733 . . . . 0.0 111.163 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.76 -46.38 1.25 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.0 p -31.09 -48.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.1 p -132.83 -55.86 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 122.37 82.51 0.62 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.681 HD22 HG21 ' A' ' 57' ' ' THR . 90.6 m-20 -152.2 152.38 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -97.23 139.98 32.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.833 ' O ' HG22 ' A' ' 29' ' ' VAL . 76.8 m-85 -147.55 152.38 37.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' A' ' 41' ' ' GLU . 47.4 m -57.36 133.58 55.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -36.36 -29.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.1 tt0 -92.96 -52.92 4.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.462 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -36.52 -71.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.461 HD11 HD12 ' A' ' 31' ' ' ILE . 8.9 tp -44.4 -38.44 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ttt180 -65.75 -59.19 4.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.4 m -54.0 -33.66 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.89 -60.28 4.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.703 HD22 ' HB3' ' A' ' 53' ' ' HIS . 54.1 mt -50.3 -48.24 55.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 49' ' ' GLU . 57.2 mt -62.05 -57.39 11.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 48' ' ' LEU . 41.6 mm-40 -32.8 -63.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' ASP . 88.9 p -69.98 130.82 43.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 2.8 m-20 -33.66 -42.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 53' ' ' HIS . 2.2 mp0 -130.32 133.21 46.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.703 ' HB3' HD22 ' A' ' 47' ' ' LEU . 24.2 m170 -35.58 101.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.2 m -131.17 113.21 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' SG ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -55.44 129.1 69.01 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -14.18 35.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.681 HG21 HD22 ' A' ' 36' ' ' ASN . 8.9 t -104.76 -35.12 7.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 55' ' ' CYS . 14.4 p -126.68 161.63 27.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 3.7 t-160 -94.32 78.87 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.481 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . 1.1 tp60 -89.24 179.16 6.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -135.53 101.44 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.8 t0 60.93 54.97 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.745 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -46.25 143.87 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.9 p -87.45 109.44 26.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.678 0.751 . . . . 0.0 110.9 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 5.09 1.8 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.358 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -97.57 -33.11 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.87 47.09 0.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 69' ' ' SER . 61.3 mt -119.59 137.37 53.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 68' ' ' LEU . 6.2 t -36.61 -43.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.843 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' HA2' ' HD2' ' A' ' 71' ' ' PRO . . . -76.27 112.77 3.66 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.498 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HD2' ' HA2' ' A' ' 70' ' ' GLY . 54.3 Cg_endo -69.68 103.45 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.3 m -72.65 112.0 8.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.8 p -111.5 138.86 47.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.553 179.965 . . . . . . . . 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 -0.356 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.9 m -127.7 143.21 51.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.777 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 p -62.03 -51.66 67.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.21 43.64 2.72 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 t -63.22 -58.18 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.91 0.386 . . . . 0.0 110.808 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.6 m -126.01 103.11 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.0 -129.79 5.24 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.79 144.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -53.24 120.77 6.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.501 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.2 m-20 -68.68 -59.73 5.35 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.577 0.703 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 10' ' ' ASP . 53.3 Cg_endo -69.75 159.15 54.46 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.7 mm -81.58 127.34 73.4 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.576 0.703 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 160.99 47.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.786 2.324 . . . . 0.0 112.298 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -42.42 -29.39 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.8 mt -90.23 -39.03 13.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 46.5 mt -83.6 159.93 21.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' N ' ' SD ' ' A' ' 25' ' ' MET . 14.4 p -68.87 169.92 10.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -103.15 36.75 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HB3' ' A' ' 42' ' ' CYS . 50.0 mt -132.05 -72.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' ' 20' ' ' ILE . 22.9 p -99.4 -11.52 21.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 64.27 55.02 1.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -132.03 146.38 52.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 124.4 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 18' ' ' CYS . 3.0 mpp? -87.61 87.06 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -41.52 -37.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -130.74 48.04 2.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -32.15 123.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 27' ' ' ASP . 15.3 m -116.2 122.88 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 35' ' ' GLY . 94.2 t -81.87 130.44 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.575 HG13 HD21 ' A' ' 68' ' ' LEU . 5.1 tt -93.4 137.2 23.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.645 0.736 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.79 -52.55 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.52 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 17.5 p -29.5 -46.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.6 p -134.79 -57.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.663 ' O ' HG13 ' A' ' 30' ' ' VAL . . . 147.12 -41.97 0.93 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-20 -36.79 147.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -111.67 155.78 22.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -147.2 163.34 36.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.961 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' GLU . 51.5 m -58.97 134.16 56.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' ARG . 0.3 OUTLIER -40.31 -25.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.801 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.6 tp10 -95.97 -52.3 4.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.483 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.5 m -37.16 -72.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.7 tp -53.64 -44.74 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.176 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.491 ' N ' HG23 ' A' ' 43' ' ' ILE . 18.7 ttm180 -45.24 -45.77 12.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.9 m -81.45 -48.98 11.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -40.98 -55.51 2.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.875 HD22 ' HB3' ' A' ' 53' ' ' HIS . 84.2 mt -50.84 -41.35 57.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' GLU . 53.3 mt -66.56 -57.73 6.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.953 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' LEU . 3.2 mm-40 -36.77 -55.45 0.88 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 98.9 p -60.59 -174.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -99.33 -47.99 4.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' HIS . 9.2 mp0 -116.13 49.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.875 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.5 m80 36.72 39.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 91.5 m -69.81 112.43 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 58' ' ' CYS . 3.7 t -39.28 134.35 1.16 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 6.16 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 86.8 m -131.5 -62.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 55' ' ' CYS . 20.5 p -90.38 147.49 23.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -76.05 82.64 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' CG ' HG22 ' A' ' 63' ' ' VAL . 9.0 tp60 -107.1 174.08 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.33 106.75 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.816 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.3 t70 72.36 50.16 0.2 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG11 HD11 ' A' ' 31' ' ' ILE . 85.1 t -52.63 150.64 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.0 m -93.51 107.01 23.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.679 0.752 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -33.44 16.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.65 2.233 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.37 -47.36 75.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -49.96 -44.73 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.575 HD21 HG13 ' A' ' 31' ' ' ILE . 57.0 mt -34.41 151.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.5 m -80.2 43.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.44 87.73 0.07 OUTLIER Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.83 11.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.61 2.207 . . . . 0.0 112.364 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -71.29 139.09 49.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -46.53 126.85 8.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.489 179.984 . . . . . . . . 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 -0.329 0 N-CA-C 112.594 -0.202 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -75.08 148.26 39.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -88.69 117.04 27.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.807 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.15 -171.25 19.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -99.91 -43.68 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -68.23 95.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.927 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.11 -92.05 1.81 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.536 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.421 ' C ' ' CD ' ' A' ' 8' ' ' GLU . 1.8 pp20? -79.07 146.25 33.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.22 158.75 34.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -136.92 144.18 45.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 160.83 48.24 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.6 2.2 . . . . 0.0 112.396 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -44.79 129.15 5.19 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.62 0.724 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 160.76 48.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.3 OUTLIER -62.69 -50.3 71.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.833 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 9.2 pt-20 -37.92 -28.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' ASP . 13.9 mt -92.97 -36.15 12.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 13.1 mt -92.17 173.79 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 p -80.76 165.76 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.2 mt -97.46 34.8 1.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.555 HD12 ' HB3' ' A' ' 42' ' ' CYS . 74.3 mt -129.39 -73.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.165 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 28.8 p -102.06 -8.81 21.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.817 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.11 54.41 2.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 58.6 m-20 -131.96 144.37 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 mt -44.02 124.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.649 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 3.0 mpp? -86.04 87.4 7.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 27' ' ' ASP . 8.5 t -48.36 -47.11 37.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.094 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.509 ' N ' HG23 ' A' ' 26' ' ' THR . 46.1 m-20 -120.81 40.94 3.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.809 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -32.06 142.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 43' ' ' ILE . 13.7 m -135.68 130.37 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.083 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.3 t -91.76 113.29 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.063 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 63' ' ' VAL . 10.3 tt -70.83 136.21 85.4 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.627 0.727 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.7 Cg_endo -69.72 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.718 2.279 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.712 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.9 p -31.33 -52.24 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.03 -55.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 118.36 101.97 2.08 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.417 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.444 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 89.8 m-20 -150.45 169.02 22.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.357 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.628 ' HB2' ' HE2' ' A' ' 25' ' ' MET . 73.1 p -105.2 122.99 47.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.888 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 47.1 m-85 -146.22 149.73 34.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 42' ' ' CYS . 34.3 m -64.96 136.76 57.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -35.59 -34.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -92.32 -37.27 12.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.555 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.3 m -51.38 -50.52 59.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.487 HG21 HG21 ' A' ' 29' ' ' VAL . 9.9 tp -77.34 -23.7 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -71.89 -63.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.6 m -52.92 -49.3 66.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -45.1 -45.77 11.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.98 -43.74 98.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mp -67.45 -61.54 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 0.9 OUTLIER -48.59 -61.04 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.2 t -39.85 104.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -40.33 -47.4 2.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 5.8 mp0 -118.05 99.48 6.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 20.3 m80 -33.76 98.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.793 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 55' ' ' CYS . 90.7 m -149.62 110.63 4.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.148 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 54' ' ' THR . 44.1 t -33.37 122.94 0.45 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 8.59 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 m -121.7 -64.55 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.1 p -108.31 168.9 8.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -74.04 103.42 4.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.89 ' HG2' HG22 ' A' ' 63' ' ' VAL . 16.8 tp60 -126.58 161.98 26.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -133.43 100.82 4.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 64.07 52.15 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.89 HG22 ' HG2' ' A' ' 60' ' ' GLN . 97.1 t -36.66 123.39 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.9 m -66.64 112.07 8.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -25.49 28.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.218 . . . . 0.0 112.42 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -86.24 31.9 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -127.45 -38.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 31' ' ' ILE . 21.5 mt -35.32 148.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' LEU . 14.3 m -36.68 -50.52 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 126.1 138.5 4.89 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' SER . 54.2 Cg_endo -69.79 102.6 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.312 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' PRO . 74.1 m -35.67 120.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 57.1 m -70.08 -56.95 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.451 179.986 . . . . . . . . 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 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -55.43 103.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.378 . . . . 0.0 110.923 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -67.44 -58.14 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.65 -133.36 11.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.486 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -121.96 155.32 35.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.9 p -122.25 132.47 54.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.02 95.25 0.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -80.05 126.16 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.905 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -100.15 160.02 14.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -89.23 108.5 24.74 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.667 0.746 . . . . 0.0 110.86 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 161.73 44.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 24.5 mm -44.3 126.39 4.63 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 111.169 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 16' ' ' LEU . 53.2 Cg_endo -69.75 154.8 67.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 16' ' ' LEU . 16.4 t70 -69.26 -56.83 6.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 3.7 pt-20 -39.48 -27.12 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.506 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 3.5 mm? -83.78 33.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.9 mt -145.65 159.99 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.98 169.64 17.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -100.52 29.17 4.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.562 HD12 ' CD1' ' A' ' 38' ' ' TYR . 23.4 mt -125.3 -71.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.16 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.41 -5.1 24.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 57.09 48.27 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -129.3 144.4 51.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.7 mt -38.63 133.91 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' THR . 3.0 mpp? -99.55 90.71 4.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.489 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -34.52 -45.14 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.191 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.636 ' O ' HG13 ' A' ' 29' ' ' VAL . 5.3 t0 -126.74 74.8 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -36.94 104.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG22 ' O ' ' A' ' 38' ' ' TYR . 13.0 m -103.72 117.33 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.575 HG12 ' HB3' ' A' ' 69' ' ' SER . 2.4 p -102.08 119.55 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.837 HD11 HG11 ' A' ' 63' ' ' VAL . 9.0 tt -81.62 132.95 53.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.76 -44.42 2.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.673 2.249 . . . . 0.0 112.348 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 28.4 p -32.02 -48.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.0 -52.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.1 97.74 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.617 ' ND2' HG21 ' A' ' 57' ' ' THR . 76.6 m-20 -155.45 153.04 29.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.5 p -93.94 131.21 39.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.6 m-85 -146.33 155.9 42.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 44.8 m -70.88 135.2 47.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.3 OUTLIER -35.8 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 3.1 pp20? -95.56 -45.59 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.8 m -45.93 -40.57 10.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.622 HG21 HG21 ' A' ' 29' ' ' VAL . 9.5 tp -80.4 -37.4 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.721 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 ptm180 -63.27 -36.17 82.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.456 ' O ' ' CG ' ' A' ' 49' ' ' GLU . 26.1 m -77.81 -40.07 41.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.9 -39.23 71.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -73.9 -51.57 15.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.721 HD13 ' O ' ' A' ' 44' ' ' ARG . 10.9 mp -60.75 -64.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 45' ' ' THR . 2.5 pp20? -34.46 -40.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 99.6 p -107.8 103.26 12.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' ND1' ' A' ' 53' ' ' HIS . 5.2 m-20 -48.37 -37.82 17.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.86 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -58.81 -31.07 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 51' ' ' ASP . 43.2 m80 64.58 50.97 2.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' GLN . 28.2 m -103.14 136.39 43.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.522 ' SG ' HG22 ' A' ' 57' ' ' THR . 2.7 t -57.86 128.87 81.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.653 0.74 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 4.45 2.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.617 HG21 ' ND2' ' A' ' 36' ' ' ASN . 5.1 t -127.21 -32.96 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 15.4 p -128.76 168.03 16.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -85.28 64.97 8.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.62 ' HG3' HG22 ' A' ' 63' ' ' VAL . 8.2 tp60 -88.52 176.01 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -153.02 136.15 15.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER 36.81 54.02 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.837 HG11 HD11 ' A' ' 31' ' ' ILE . 64.1 t -54.66 143.23 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.5 m -88.4 114.0 57.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.651 0.739 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -4.87 14.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -75.95 -37.22 58.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -65.06 -45.42 85.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.473 ' C ' ' O ' ' A' ' 67' ' ' ALA . 43.8 mt -32.6 134.22 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.575 ' HB3' HG12 ' A' ' 30' ' ' VAL . 2.9 p -73.17 160.48 31.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 72' ' ' SER . . . 124.29 -101.58 0.68 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 10.39 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.367 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 70' ' ' GLY . 15.2 t -57.04 -61.03 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.1 t -60.39 -55.74 29.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.107 -0.83 . . . . 0.0 112.51 -179.933 . . . . . . . . 0 0 . 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 1.451 -0.358 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -86.23 91.67 8.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.816 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -119.37 151.44 38.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.06 173.96 23.68 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.545 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -97.46 -57.8 2.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -66.26 161.29 22.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.71 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -125.77 86.24 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.34 157.79 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.794 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.523 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -78.66 -64.27 0.38 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 110.872 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 10' ' ' ASP . 54.1 Cg_endo -69.75 163.74 37.12 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.344 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -96.1 125.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.641 0.734 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HG2' HD12 ' A' ' 16' ' ' LEU . 53.7 Cg_endo -69.79 156.55 62.97 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.347 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -67.01 -50.2 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 14' ' ' ASP . 11.4 pt-20 -38.57 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 14' ' ' ASP . 12.4 mt -87.8 -39.82 14.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 14' ' ' ASP . 48.6 mt -90.24 165.28 14.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.2 p -77.23 164.46 25.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.55 39.7 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.533 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 82.8 mt -134.58 -70.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 p -102.26 -11.53 18.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 64.3 52.3 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -134.09 143.32 47.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.872 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.2 mt -42.6 124.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -86.06 95.86 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -46.05 -43.13 14.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.475 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.3 m-20 -128.01 79.15 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.88 133.84 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 38' ' ' TYR . 11.5 m -134.93 128.18 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.43 123.86 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.707 HD11 HG11 ' A' ' 63' ' ' VAL . 6.9 tt -83.91 134.46 44.05 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.63 0.728 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.73 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.489 ' C ' ' O ' ' A' ' 32' ' ' PRO . 28.1 p -30.15 -51.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 24.3 p -135.08 -55.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 121.31 104.97 1.94 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.508 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.436 HD21 HG21 ' A' ' 57' ' ' THR . 43.4 m-80 -160.92 156.28 24.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 p -96.73 128.16 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.671 ' O ' HG22 ' A' ' 29' ' ' VAL . 60.8 m-85 -146.99 149.83 33.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ASP . 57.3 m -61.74 137.04 58.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -35.09 -37.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.18 -45.45 10.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 m -43.61 -49.74 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 31' ' ' ILE . 6.9 tp -75.28 -39.06 41.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 tpp180 -54.6 -57.04 12.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 46' ' ' ALA . 44.1 m -60.71 -56.21 24.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -36.05 -56.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.664 HD22 ' HB3' ' A' ' 53' ' ' HIS . 91.1 mt -52.3 -44.14 64.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' THR . 51.9 mt -67.07 -58.57 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -39.02 -55.11 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 p -60.08 166.34 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.93 -61.9 1.88 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.75 70.03 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.664 ' HB3' HD22 ' A' ' 47' ' ' LEU . 16.8 m170 39.51 42.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -68.99 100.0 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.7 t -43.19 133.09 3.32 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.563 0.696 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.54 27.38 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.745 2.297 . . . . 0.0 112.372 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.436 HG21 HD21 ' A' ' 36' ' ' ASN . 13.4 m -83.08 -58.41 2.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.05 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.4 p -118.99 174.96 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -89.69 103.69 16.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.775 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.752 ' HG2' HG22 ' A' ' 63' ' ' VAL . 20.8 tp60 -115.95 170.79 8.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -132.53 96.57 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.9 t0 67.77 52.84 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.752 HG22 ' HG2' ' A' ' 60' ' ' GLN . 64.5 t -43.64 138.89 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.2 m -81.14 111.26 22.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.4 28.45 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.349 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -49.18 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' CB ' ' HG3' ' A' ' 32' ' ' PRO . . . -44.3 -44.33 8.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' ALA . 46.9 mt -35.8 153.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.8 t -73.46 122.68 22.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.87 92.95 1.5 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -21.06 34.25 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.716 2.277 . . . . 0.0 112.3 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.7 t -56.71 105.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.1 m -90.47 134.78 34.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.482 -179.929 . . . . . . . . 0 0 . 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 -0.27 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -144.92 165.33 28.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.3 t -137.21 148.26 46.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.3 86.25 0.25 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -111.03 139.45 46.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.5 p -100.87 117.79 35.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.35 110.04 1.89 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.54 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -150.23 117.44 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -147.47 114.94 6.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -42.04 139.08 1.78 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.32 5.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.272 . . . . 0.0 112.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 13' ' ' PRO . 77.0 mt -89.07 134.05 34.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.493 ' HD2' HG23 ' A' ' 12' ' ' ILE . 53.2 Cg_endo -69.81 170.06 17.52 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -66.96 -43.52 82.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -42.18 -29.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.694 ' O ' ' HE2' ' A' ' 25' ' ' MET . 12.7 mt -91.09 -36.63 13.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 62.3 mt -84.72 153.47 23.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 p -89.86 168.16 12.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -96.65 29.33 3.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 42' ' ' CYS . 96.3 mt -125.81 -75.72 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 23' ' ' ASP . 15.8 p -98.02 -6.45 31.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? 58.94 53.05 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 28.9 t0 -126.82 142.3 51.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.72 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -43.33 118.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.694 ' HE2' ' O ' ' A' ' 16' ' ' LEU . 43.0 mtm -86.45 88.24 7.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.0 t -54.17 -35.87 62.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.2 t0 -126.15 45.07 2.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 25' ' ' MET . . . -38.96 126.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG12 ' HB3' ' A' ' 69' ' ' SER . 5.0 m -120.16 128.71 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -92.45 119.1 39.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.523 ' CG2' ' SG ' ' A' ' 33' ' ' CYS . 6.5 tt -72.41 137.17 80.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.551 0.691 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.494 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.77 -51.51 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 19.5 p -29.81 -52.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.9 p -135.06 -56.81 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 123.2 93.53 1.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.591 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 76.3 m-20 -138.12 161.51 36.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.583 ' O ' ' CD1' ' A' ' 38' ' ' TYR . 81.9 p -100.85 121.77 42.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 36' ' ' ASN . 27.8 m-85 -147.47 150.68 35.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' GLU . 39.9 m -65.87 135.92 55.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -33.84 -34.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' CYS . 12.6 pt-20 -92.5 -48.28 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.432 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.7 m -39.67 -54.16 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.0 tp -71.89 -30.39 37.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.168 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 44' ' ' ARG . 2.6 tmm_? -61.2 -59.44 5.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 49' ' ' GLU . 20.9 m -62.54 -45.64 92.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.77 -46.52 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.5 mt -59.35 -50.35 74.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.582 ' HG2' HG22 ' A' ' 45' ' ' THR . 35.6 mm-40 -59.5 -56.11 26.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.4 m -45.11 133.56 6.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.03 -45.43 5.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 53' ' ' HIS . 41.3 mm-40 -134.82 53.47 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.45 ' C ' ' O ' ' A' ' 52' ' ' GLU . 6.9 m-70 34.71 44.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' GLN . 84.2 m -86.11 121.57 28.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 51.6 t -43.21 122.55 3.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 5.8 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.417 HG21 HD21 ' A' ' 36' ' ' ASN . 11.6 m -115.07 -60.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.3 p -115.42 160.65 19.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -76.03 95.14 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.674 ' NE2' HG22 ' A' ' 63' ' ' VAL . 0.0 OUTLIER -137.65 171.42 14.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.413 ' ND2' ' OE1' ' A' ' 60' ' ' GLN . 0.0 OUTLIER -89.68 -174.28 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 101.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.674 HG22 ' NE2' ' A' ' 60' ' ' GLN . 97.6 t -70.28 145.84 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 66' ' ' ASP . 25.2 t -73.78 129.13 85.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.69 0.757 . . . . 0.0 110.847 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 9.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.632 2.222 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 64' ' ' SER . 29.7 t70 -112.54 -36.7 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.43 46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 69' ' ' SER . 34.2 mt -129.07 119.9 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.646 ' HB3' HG12 ' A' ' 29' ' ' VAL . 22.7 t 33.0 40.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' LEU . . . -126.99 156.03 20.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 7.09 1.08 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -110.77 99.42 8.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -93.61 152.3 19.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.492 -179.971 . . . . . . . . 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 1.451 -0.314 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -63.8 88.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.831 0.348 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.6 m -143.32 125.26 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.02 72.71 0.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -159.58 143.24 14.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.91 0.386 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 p 44.21 42.8 5.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.73 138.47 2.61 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.432 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -46.95 141.91 3.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.76 143.44 47.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.411 ' HA ' ' HD2' ' A' ' 11' ' ' PRO . 3.0 p30 -109.85 114.56 56.34 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.53 0.681 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 10' ' ' ASP . 54.1 Cg_endo -69.77 171.53 14.3 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.5 mt -41.41 126.09 2.27 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.587 0.708 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.549 ' HG2' HD23 ' A' ' 16' ' ' LEU . 53.9 Cg_endo -69.76 152.29 69.27 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -68.85 -53.48 21.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' HG3' HD22 ' A' ' 16' ' ' LEU . 2.6 pt-20 -41.58 -26.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.549 HD23 ' HG2' ' A' ' 13' ' ' PRO . 4.5 mm? -84.07 30.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.4 mt -144.11 149.54 36.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.4 p -76.65 168.96 19.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 mt -101.21 30.65 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 42' ' ' CYS . 79.6 mt -124.29 -74.75 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 31.4 p -98.05 -5.37 34.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 8.8 mptt 58.99 55.08 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.6 m-20 -136.58 145.37 44.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.9 mm -39.85 132.01 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.074 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -88.96 80.91 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.9 t -38.04 -41.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' N ' HG23 ' A' ' 26' ' ' THR . 2.0 m-20 -130.29 81.22 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 137.18 18.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG21 HG21 ' A' ' 43' ' ' ILE . 16.1 m -140.9 120.79 12.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.173 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -91.17 114.08 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.697 HD12 HD11 ' A' ' 43' ' ' ILE . 6.6 tt -72.25 136.26 81.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 111.13 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.507 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.0 Cg_endo -69.76 -52.97 0.29 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.65 ' SG ' HD13 ' A' ' 31' ' ' ILE . 8.0 p -29.12 -53.3 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.4 p -135.02 -59.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 124.41 107.73 1.75 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -161.06 162.42 31.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.924 0.392 . . . . 0.0 110.775 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.8 m -98.67 124.48 43.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.814 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -145.73 147.37 31.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 41' ' ' GLU . 34.6 m -57.08 134.76 56.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -33.83 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 39' ' ' CYS . 36.0 tt0 -91.89 -50.9 5.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.597 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -37.31 -48.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.697 HD11 HD12 ' A' ' 31' ' ' ILE . 8.5 tp -79.9 -29.34 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -63.89 -56.62 13.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.513 HG22 ' HG3' ' A' ' 49' ' ' GLU . 50.8 m -67.18 -43.21 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.03 -49.28 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.58 -49.14 76.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.53 -55.89 26.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HG3' HG22 ' A' ' 45' ' ' THR . 49.3 mt-10 -38.37 -57.76 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.96 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -58.73 174.74 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -100.64 -42.73 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' HIS . 15.6 mt-10 -111.12 52.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' GLU . 7.7 m170 33.71 46.44 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -74.67 137.04 41.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.19 135.14 47.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.622 0.725 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -14.26 36.0 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.372 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -98.65 -56.55 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.0 p -114.65 173.36 6.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -90.39 91.59 8.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -111.84 170.73 7.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -123.11 -46.08 2.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.813 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.62 106.39 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.4 t -105.61 108.4 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.067 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.2 m -70.21 119.73 73.84 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.67 0.748 . . . . 0.0 110.938 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.17 27.89 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.722 2.281 . . . . 0.0 112.334 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -65.13 -41.93 94.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -51.58 -47.78 63.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.4 mt -36.53 148.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.516 ' O ' HG12 ' A' ' 29' ' ' VAL . 18.6 m -93.94 113.36 25.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -123.2 -154.46 9.02 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.246 . . . . 0.0 112.338 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.0 m -119.27 146.15 45.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 67.7 m -96.62 -47.03 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.516 -179.999 . . . . . . . . 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 -0.286 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -109.33 168.68 9.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.914 0.387 . . . . 0.0 110.839 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.8 p -86.14 113.36 22.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.77 -174.03 32.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t -65.96 -56.88 9.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 m -85.47 158.33 20.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.787 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.56 -81.58 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.493 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -114.33 162.61 16.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -114.34 156.09 25.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.28 143.37 40.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.627 0.727 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.8 44.54 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.3 mp -40.02 128.76 1.61 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.68 0.752 . . . . 0.0 111.132 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.45 ' HD2' HD12 ' A' ' 16' ' ' LEU . 53.9 Cg_endo -69.86 163.41 38.45 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.725 2.283 . . . . 0.0 112.329 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -60.06 -42.37 94.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -20.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 HD12 ' HD2' ' A' ' 13' ' ' PRO . 35.5 mt -110.24 32.46 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 14' ' ' ASP . 93.0 mt -137.27 150.0 47.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -77.28 167.96 20.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.4 mt -98.17 37.07 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.554 HD12 ' HB3' ' A' ' 42' ' ' CYS . 78.6 mt -134.17 -75.97 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 23' ' ' ASP . 30.8 p -97.25 -6.27 34.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.5 mptt 58.1 55.01 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 3.1 m-20 -132.78 149.53 52.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.3 mt -42.88 130.93 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.543 ' CB ' ' HB2' ' A' ' 28' ' ' ALA . 3.6 mpp? -92.63 82.27 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.0 t -50.39 -38.36 42.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' ALA . 39.0 t70 -130.25 43.4 3.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' ' CB ' ' A' ' 25' ' ' MET . . . -35.51 133.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.897 HG21 HG21 ' A' ' 43' ' ' ILE . 2.8 m -121.93 128.22 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.4 t -91.59 113.16 26.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.77 HD12 HD11 ' A' ' 43' ' ' ILE . 5.7 tt -76.62 135.47 68.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.712 . . . . 0.0 111.098 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.2 Cg_endo -69.77 -49.13 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.278 . . . . 0.0 112.353 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 31' ' ' ILE . 26.6 p -30.66 -50.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.3 p -135.04 -55.33 0.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 116.25 100.61 2.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.553 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.807 HD22 HG21 ' A' ' 57' ' ' THR . 65.9 m-20 -153.28 166.65 31.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.832 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.7 p -99.17 125.64 44.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -147.27 149.27 32.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 42' ' ' CYS . 21.1 m -65.89 131.29 45.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.1 OUTLIER -35.2 -35.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 7.2 pt-20 -87.72 -38.23 15.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.554 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.6 m -55.19 -69.92 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.897 HG21 HG21 ' A' ' 29' ' ' VAL . 6.1 tp -48.04 -28.52 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -70.42 -63.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -56.31 -38.66 71.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' A' ' 45' ' ' THR . . . -50.81 -44.32 59.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 43' ' ' ILE . 13.3 mt -60.3 -42.78 96.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 49' ' ' GLU . 3.7 mm? -57.36 -46.42 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' C ' ' O ' ' A' ' 48' ' ' LEU . 18.5 mt-10 -31.03 -62.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 75.0 m -97.51 115.1 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.9 p-10 -34.75 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 53' ' ' HIS . 12.9 mm-40 -97.8 109.0 21.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.473 ' C ' ' O ' ' A' ' 52' ' ' GLU . 31.1 m170 -32.18 103.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 97.0 m -132.6 106.06 7.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.44 ' SG ' HG22 ' A' ' 57' ' ' THR . 1.4 t -46.0 126.96 7.1 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.624 0.726 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -6.57 18.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.807 HG21 HD22 ' A' ' 36' ' ' ASN . 5.7 t -112.83 -32.1 6.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.115 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 55' ' ' CYS . 14.3 p -130.07 158.57 39.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 53.2 t-80 -80.54 51.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.409 ' HG2' ' CB ' ' A' ' 33' ' ' CYS . 15.4 tp60 -59.52 174.82 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.37 -40.31 3.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -163.22 138.01 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.7 m -149.6 123.65 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.84 144.04 28.74 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.707 0.765 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -15.42 37.28 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.404 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -75.27 -41.22 57.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.75 91.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.555 HD21 HG13 ' A' ' 31' ' ' ILE . 79.6 mt -41.85 150.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 t -61.47 149.84 37.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.79 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 48.53 72.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 138.66 38.11 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.608 2.205 . . . . 0.0 112.353 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 m -88.69 -54.74 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -63.12 -57.92 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.496 -179.961 . . . . . . . . 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 -0.292 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -50.43 112.82 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.917 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -74.43 141.62 45.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.22 77.69 1.14 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 m -92.48 157.2 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -80.97 -51.81 8.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.41 109.17 1.17 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -132.48 129.54 39.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -174.22 156.47 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -113.79 139.73 23.84 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.626 0.727 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.59 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.86 126.08 89.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.628 0.727 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 170.72 16.02 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.646 2.231 . . . . 0.0 112.3 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' HA ' HD12 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -68.55 -44.2 75.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.06 -24.75 0.17 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.0 mt -105.88 34.84 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 14' ' ' ASP . 78.9 mt -139.99 158.2 44.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.9 p -78.18 162.16 26.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.0 mt -99.1 31.93 2.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.481 HD12 ' HB3' ' A' ' 42' ' ' CYS . 66.6 mt -126.41 -72.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -102.95 -0.12 31.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm 53.47 44.7 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -123.79 142.32 51.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 62.0 mt -40.58 131.62 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -92.63 98.15 11.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.806 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 27' ' ' ASP . 9.5 t -44.66 -40.57 5.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.639 ' O ' HG13 ' A' ' 29' ' ' VAL . 0.9 OUTLIER -130.75 75.89 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.41 103.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 27' ' ' ASP . 17.4 m -106.23 123.0 60.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.5 t -94.97 114.69 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.665 HD13 ' SG ' ' A' ' 33' ' ' CYS . 8.1 tt -70.29 136.93 86.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.702 . . . . 0.0 111.122 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.483 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.8 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.392 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.665 ' SG ' HD13 ' A' ' 31' ' ' ILE . 19.5 p -31.97 -53.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 10.5 p -135.02 -55.61 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' H ' ' CG2' ' A' ' 31' ' ' ILE . . . 120.81 107.78 2.11 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.675 HD22 HG21 ' A' ' 57' ' ' THR . 34.7 m-20 -159.07 162.67 36.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -99.28 123.77 43.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -145.31 135.95 24.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 42' ' ' CYS . 23.6 m -52.64 134.76 35.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.29 -29.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.8 pm0 -93.33 -35.78 12.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HB3' HD12 ' A' ' 20' ' ' ILE . 1.4 m -55.31 -55.81 27.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 44' ' ' ARG . 7.1 tp -70.12 -42.51 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 43' ' ' ILE . 25.2 ttt180 -53.7 -52.38 60.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' LEU . 28.2 m -72.21 -46.95 54.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -35.64 -54.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.3 mt -59.59 -39.32 83.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 45' ' ' THR . 45.0 mt -71.79 -65.3 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.3 -27.45 9.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' ASP . 20.6 t -79.82 92.51 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 3.1 m-20 -35.42 -41.03 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 52' ' ' GLU . 1.3 pp20? -111.75 109.32 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -54.54 104.81 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 60' ' ' GLN . 96.1 m -161.17 115.33 2.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' C ' ' O ' ' A' ' 54' ' ' THR . 0.5 OUTLIER -35.63 126.45 0.62 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.635 0.731 . . . . 0.0 110.897 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.64 2.67 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.675 HG21 HD22 ' A' ' 36' ' ' ASN . 5.1 t -124.22 -43.93 2.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.43 ' N ' HG23 ' A' ' 57' ' ' THR . 16.7 p -116.45 168.87 9.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -87.89 68.75 9.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 54' ' ' THR . 47.4 tp60 -104.61 161.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -106.72 -179.61 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' ASN . 1.3 t0 -33.6 93.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' ASN . 89.2 t -84.85 148.16 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 p -70.69 118.68 67.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.611 0.719 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -15.92 37.1 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -99.93 32.76 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -119.42 -40.16 2.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 67' ' ' ALA . 31.7 mt -36.5 147.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.6 p -54.34 158.65 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.4 84.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 89.1 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.3 m -140.16 108.55 5.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -110.93 -45.06 3.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.447 -179.96 . . . . . . . . 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 1.45 -0.395 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -135.22 136.05 41.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.3 p -60.37 176.54 0.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.58 124.3 4.36 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 47.87 41.72 14.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.93 0.395 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -89.67 113.05 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.38 -114.07 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -127.86 169.27 14.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -85.61 92.89 8.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.555 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 0.8 OUTLIER -65.91 -57.29 14.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.636 0.731 . . . . 0.0 110.807 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 10' ' ' ASP . 53.3 Cg_endo -69.77 177.16 5.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.332 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.7 mt -67.83 131.56 92.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.614 0.721 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HG2' HD12 ' A' ' 16' ' ' LEU . 54.4 Cg_endo -69.72 165.1 32.05 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.697 2.264 . . . . 0.0 112.342 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -44.37 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' CD ' ' HB2' ' A' ' 13' ' ' PRO . 2.3 pm0 -48.1 -25.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD12 ' HG2' ' A' ' 13' ' ' PRO . 14.2 mt -89.3 -35.84 15.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.2 mt -86.32 161.24 18.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 19.8 p -97.99 168.38 10.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -97.44 32.36 2.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 38' ' ' TYR . 84.2 mt -128.96 -75.35 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -98.36 -5.41 32.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mmtm 60.26 46.11 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -124.83 141.49 52.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.7 mm -45.21 115.07 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.425 ' CG ' ' HB3' ' A' ' 18' ' ' CYS . 50.4 mtm -75.75 94.88 3.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -48.45 -37.46 17.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -130.26 80.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.7 136.49 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 38' ' ' TYR . 4.2 m -137.58 133.76 45.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.44 117.25 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.697 HD13 ' SG ' ' A' ' 33' ' ' CYS . 10.6 tt -78.45 136.24 60.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.713 . . . . 0.0 111.157 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.7 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.721 2.28 . . . . 0.0 112.375 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.697 ' SG ' HD13 ' A' ' 31' ' ' ILE . 25.1 p -31.57 -52.33 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 18.8 p -134.98 -53.84 0.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 119.2 105.82 2.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.576 ' ND2' HG21 ' A' ' 57' ' ' THR . 48.8 m-80 -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.406 ' HB3' ' CE ' ' A' ' 25' ' ' MET . 28.2 m -96.85 128.22 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.711 ' O ' HG22 ' A' ' 29' ' ' VAL . 51.7 m-85 -145.93 157.33 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' GLU . 61.5 m -66.36 136.21 55.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.0 OUTLIER -34.24 -35.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 39' ' ' CYS . 10.3 tt0 -90.62 -50.6 5.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' GLU . 2.0 m -37.42 -58.89 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 29' ' ' VAL . 7.5 tp -64.13 -30.85 51.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD13 ' A' ' 48' ' ' LEU . 24.4 ttt85 -65.37 -44.45 87.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.51 HG22 ' CG ' ' A' ' 49' ' ' GLU . 53.8 m -66.68 -60.42 2.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.63 -63.32 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -42.39 -48.05 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 44' ' ' ARG . 7.8 mp -67.34 -58.7 4.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.51 ' CG ' HG22 ' A' ' 45' ' ' THR . 13.5 mm-40 -43.58 -57.01 3.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -45.48 164.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.26 -57.58 5.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -133.78 77.44 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.7 m170 44.23 41.76 4.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 21.9 m -79.48 111.76 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 53.3 t -55.48 129.3 69.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.626 0.727 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 4.64 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.628 2.218 . . . . 0.0 112.389 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.576 HG21 ' ND2' ' A' ' 36' ' ' ASN . 10.9 m -118.8 -52.12 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 17.7 p -118.11 168.4 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -81.04 87.43 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -116.24 159.99 21.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -120.39 -39.36 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -124.96 124.02 41.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 97.3 t -124.83 136.82 59.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 95.4 p -93.38 109.65 41.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 53.5 Cg_endo -69.86 2.96 3.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.254 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -97.69 -45.36 6.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -50.92 -41.78 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -34.31 145.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.2 t -36.59 -46.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.61 110.22 2.65 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -2.54 10.31 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.6 m -69.88 128.68 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.7 m -150.9 127.31 10.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.5 -179.945 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -125.91 153.63 43.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -112.84 139.91 48.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.2 -46.88 1.05 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -160.63 144.35 13.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.388 . . . . 0.0 110.861 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -121.02 120.35 35.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.84 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.51 51.99 4.53 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -84.3 42.49 0.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -158.57 158.3 33.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -43.52 135.32 3.45 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 175.33 8.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.737 2.291 . . . . 0.0 112.322 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.458 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.8 mp -44.74 132.64 5.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.176 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 12' ' ' ILE . 53.4 Cg_endo -69.76 174.56 9.33 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.281 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.45 -31.05 65.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -57.75 -16.6 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.9 mt -113.67 26.03 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -135.61 150.83 49.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -87.11 170.14 11.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.3 mt -101.97 33.52 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.4 mt -130.37 -71.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -102.52 -0.16 32.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt 50.42 54.57 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -132.86 143.55 49.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -44.04 127.67 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtm -97.18 108.34 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 27' ' ' ASP . 10.0 t -54.02 -41.77 68.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.519 ' O ' HG13 ' A' ' 29' ' ' VAL . 13.6 m-20 -125.91 76.48 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.49 107.2 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 38' ' ' TYR . 16.5 m -99.54 117.72 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 36' ' ' ASN . 2.7 p -103.71 116.09 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.701 HD13 ' SG ' ' A' ' 33' ' ' CYS . 9.5 tt -71.7 136.31 83.18 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.685 0.755 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.2 Cg_endo -69.63 -48.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.676 2.251 . . . . 0.0 112.416 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.701 ' SG ' HD13 ' A' ' 31' ' ' ILE . 21.1 p -30.86 -53.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.4 p -135.02 -54.74 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 125.95 94.18 0.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.641 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 0.3 OUTLIER -139.98 145.13 37.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.909 -179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.4 p -93.33 127.27 38.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.825 ' O ' HG22 ' A' ' 29' ' ' VAL . 41.6 m-85 -144.36 160.46 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 41' ' ' GLU . 56.4 m -71.72 138.74 48.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -37.95 -30.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 42' ' ' CYS . 13.8 pt-20 -95.26 -45.43 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 1.7 m -43.22 -61.49 1.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.842 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.615 HG21 HG21 ' A' ' 29' ' ' VAL . 10.2 tp -61.97 -27.42 42.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -44.64 79.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.484 HG22 ' HG3' ' A' ' 49' ' ' GLU . 60.5 m -76.31 -55.55 5.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' THR . . . -34.68 -60.52 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.4 mt -47.75 -47.17 30.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 49' ' ' GLU . 32.1 mt -66.96 -61.09 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.484 ' HG3' HG22 ' A' ' 45' ' ' THR . 17.1 mt-10 -33.63 -52.86 0.42 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' ASP . 11.3 t -68.07 134.86 51.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 0.2 OUTLIER -35.25 -61.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -119.57 170.95 8.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -69.99 87.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' CYS . 19.5 m -129.73 99.08 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' THR . 53.6 t -37.23 127.6 0.82 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.1 34.04 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.608 2.205 . . . . 0.0 112.394 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.3 m -94.08 -51.15 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.43 ' O ' ' SG ' ' A' ' 58' ' ' CYS . 19.5 p -130.8 113.63 14.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.603 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 28.7 p-80 -37.2 104.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.75 ' NE2' ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -120.73 139.84 52.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.75 ' H ' ' NE2' ' A' ' 60' ' ' GLN . 0.6 OUTLIER -62.56 -62.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -147.88 127.48 13.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.468 HG11 HD11 ' A' ' 31' ' ' ILE . 58.9 t -115.12 120.41 64.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.3 t -67.24 119.97 68.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.711 0.767 . . . . 0.0 110.923 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -2.1 9.58 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.42 -52.26 5.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -45.78 -44.79 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 67' ' ' ALA . 55.8 mt -34.13 148.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' HG12 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -58.6 137.04 57.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 172.15 84.26 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -8.54 23.87 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.681 2.254 . . . . 0.0 112.319 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.0 t -52.99 130.0 32.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -45.35 120.28 2.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.903 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.458 -179.975 . . . . . . . . 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 -0.312 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.5 p -151.22 152.75 33.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -156.18 161.96 40.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.85 -109.3 0.68 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.431 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -75.51 97.03 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 m -124.01 168.52 12.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.1 -62.7 0.64 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -102.6 84.04 2.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.79 0.328 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -134.71 104.71 6.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.36 126.02 53.23 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.627 0.727 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 171.3 14.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.0 mt -37.8 131.73 0.89 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' CG ' HD12 ' A' ' 16' ' ' LEU . 53.7 Cg_endo -69.63 -177.73 1.97 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.759 2.306 . . . . 0.0 112.345 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -96.51 -20.87 18.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.09 -12.17 60.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 13' ' ' PRO . 14.3 mt -97.15 -22.91 16.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.959 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.3 mt -98.07 160.52 14.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.3 p -92.08 -173.1 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.3 mt -103.93 -22.8 13.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 21' ' ' CYS . 48.2 mt -75.26 -76.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.475 ' N ' HG22 ' A' ' 20' ' ' ILE . 14.0 p -99.99 13.18 34.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 36.4 46.65 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -121.81 148.52 44.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.7 mt -42.65 131.18 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 32.4 mtm -98.75 90.98 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -39.55 -44.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -128.17 87.42 2.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.73 128.3 34.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 43' ' ' ILE . 26.4 m -127.87 119.02 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.73 118.06 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.157 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 HD13 ' SG ' ' A' ' 33' ' ' CYS . 6.8 tt -80.69 135.91 52.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 111.192 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.4 Cg_endo -69.68 -50.75 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.628 ' SG ' HD13 ' A' ' 31' ' ' ILE . 13.1 p -30.04 -52.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.3 p -134.98 -56.62 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 31' ' ' ILE . . . 117.14 96.52 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.589 HD22 HG21 ' A' ' 57' ' ' THR . 25.3 m-80 -148.45 158.62 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.4 p -96.32 127.42 42.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -145.72 146.2 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ASP . 40.2 m -61.34 136.26 57.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -34.97 -39.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -84.58 -42.08 15.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' CYS . 1.3 m -45.44 -67.58 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.657 HG21 HG21 ' A' ' 29' ' ' VAL . 10.9 tp -60.0 -26.97 37.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.734 ' O ' HD23 ' A' ' 48' ' ' LEU . 17.9 tpp180 -69.35 -32.87 72.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.637 HG22 ' HG2' ' A' ' 49' ' ' GLU . 57.5 m -89.41 -45.5 9.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.172 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -42.58 -42.98 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.783 HD22 ' HB3' ' A' ' 53' ' ' HIS . 68.6 mt -68.22 -42.89 79.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 44' ' ' ARG . 4.6 mm? -64.67 -57.74 8.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.637 ' HG2' HG22 ' A' ' 45' ' ' THR . 61.1 mm-40 -33.23 -65.57 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' ASP . 26.2 p -67.79 143.29 55.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' SER . 13.5 m-20 -34.62 -45.95 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.953 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' THR . 36.0 mt-10 -130.09 169.26 15.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.783 ' HB3' HD22 ' A' ' 47' ' ' LEU . 12.7 m170 -56.59 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' GLU . 76.5 m -106.16 129.18 54.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -79.49 122.93 84.4 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.595 0.712 . . . . 0.0 110.924 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 9.23 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.589 HG21 HD22 ' A' ' 36' ' ' ASN . 1.2 t -128.73 -45.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.203 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.17 -7.49 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 55' ' ' CYS . 24.8 m-70 48.53 50.56 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.603 ' OE1' HG22 ' A' ' 63' ' ' VAL . 0.5 OUTLIER -55.71 -173.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.16 95.27 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 74.91 53.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.603 HG22 ' OE1' ' A' ' 60' ' ' GLN . 59.5 t -49.88 159.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.52 ' N ' HG12 ' A' ' 63' ' ' VAL . 5.0 m -101.03 104.2 30.58 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.717 0.77 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 54.0 Cg_endo -69.71 0.79 5.11 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.685 2.257 . . . . 0.0 112.374 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.59 -31.62 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 68' ' ' LEU . . . -68.59 -43.56 76.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 67' ' ' ALA . 36.2 mt -34.64 145.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 t -70.61 95.12 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 165.46 -173.61 41.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 131.81 21.96 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 27.1 m -77.44 170.41 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.4 m -81.0 -55.96 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.448 -179.894 . . . . . . . . 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_